7UB

(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one

Created: 2021-08-20
Last modified:  2022-03-23

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count68
Aromatic Bond Count17
2D diagram of 7UB
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Chemical Component Summary

Name(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one
Systematic Name (OpenEye OEToolkits)(8~{R})-2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1~{H}-pyrazol-5-ylmethyl)spiro[5~{H}-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
FormulaC25 H29 N7 O2
Molecular Weight459.543
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CN(Cc3ccn[NH]3)CC2)C1=O
SMILESCACTVS3.385COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C]5(CCN(Cc6[nH]ncc6)C5)C2=O
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1)N2Cc3cnc(nc3C4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6
Canonical SMILESCACTVS3.385 COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C@]5(CCN(Cc6[nH]ncc6)C5)C2=O
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6
InChIInChI1.03 InChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)/t25-/m1/s1
InChIKeyInChI1.03 CBHUSCSYQHQLDW-RUZDIDTESA-N

Related Resource References

Resource NameReference
PubChem 162679121