A1BV1

(6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

Created:2025-02-03
Last modified:  2025-06-25

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count12
2D diagram of A1BV1
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Chemical Component Summary

Name(6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Systematic Name (OpenEye OEToolkits)8-[2-(2-azanylethoxy)ethyl]-6-[2-chloranyl-3-fluoranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
FormulaC23 H26 Cl F N6 O3
Molecular Weight488.942
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1CCCN1c1ccc(C2=Cc3cnc(nc3N(CCOCCN)C2=O)NCC)c(Cl)c1F
SMILESCACTVS3.385CCNc1ncc2C=C(C(=O)N(CCOCCN)c2n1)c3ccc(N4CCCC4=O)c(F)c3Cl
SMILESOpenEye OEToolkits3.1.0.0CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(c(c3Cl)F)N4CCCC4=O)CCOCCN
Canonical SMILESCACTVS3.385 CCNc1ncc2C=C(C(=O)N(CCOCCN)c2n1)c3ccc(N4CCCC4=O)c(F)c3Cl
Canonical SMILESOpenEye OEToolkits3.1.0.0 CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(c(c3Cl)F)N4CCCC4=O)CCOCCN
InChIInChI1.06 InChI=1S/C23H26ClFN6O3/c1-2-27-23-28-13-14-12-16(22(33)31(21(14)29-23)9-11-34-10-7-26)15-5-6-17(20(25)19(15)24)30-8-3-4-18(30)32/h5-6,12-13H,2-4,7-11,26H2,1H3,(H,27,28,29)
InChIKeyInChI1.06 KFVPRGMMTHBEBX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 175679304