6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C163H176F4N38O15S4 — CID 159113559

IUPAC6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(c2ncc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CC(=O)N1CCCC(c2cn(C)c(-c3cc4cnc(Nc5ccc(OC6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)n2)C1.Cc1cc(-c2ccoc2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1cc(C2CC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCN(S(C)(=O)=O)CC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O
InChIInChI=1S/C35H39N7O4S2.C33H33FN8O3.C32H35N9O3S.C32H36N6O2S.C31H33F3N8O3/c1-23-18-25(24-10-15-41(16-11-24)48(3,44)45)4-9-30(23)31-19-26-20-37-35(39-33(26)42(34(31)43)22-32-36-13-17-47-32)38-27-5-7-28(8-6-27)46-29-12-14-40(2)21-29;1-21-14-28(22-6-13-45-20-22)36-18-26(21)25-15-23-17-37-33(38-24-4-5-29(27(34)16-24)40-11-7-35-8-12-40)39-31(23)42(32(25)44)19-30(43)41-9-2-3-10-41;1-20(42)40-14-3-4-21(18-40)27-19-39(2)29(37-27)26-16-22-17-35-31(38-28(22)41(30(26)43)32-34-13-15-45-32)36-23-5-7-24(8-6-23)44-25-9-11-33-12-10-25;1-20-14-24(22-2-3-22)16-34-29(20)27-15-25-17-35-32(36-26-6-4-23(5-7-26)28-18-33-10-13-41-28)37-30(25)38(31(27)39)19-21-8-11-40-12-9-21;1-19(43)41-11-8-20(9-12-41)27-36-15-22(16-37-27)26-13-21-14-38-30(40-28(21)42(29(26)44)18-31(32,33)34)39-23-4-6-24(7-5-23)45-25-3-2-10-35-17-25/h4-9,13,17-20,24,29H,10-12,14-16,21-22H2,1-3H3,(H,37,38,39);4-6,13-18,20,35H,2-3,7-12,19H2,1H3,(H,37,38,39);5-8,13,15-17,19,21,25,33H,3-4,9-12,14,18H2,1-2H3,(H,35,36,38);4-7,14-17,21-22,28,33H,2-3,8-13,18-19H2,1H3,(H,35,36,37);4-7,13-16,20,25,35H,2-3,8-12,17-18H2,1H3,(H,38,39,40)
InChIKeyKEUJSDSJNXEBCL-UHFFFAOYSA-N
MW3111.71 g/mol
LogP23.81
Rot. Bonds37

About 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159113559) has the molecular formula C163H176F4N38O15S4 and a molecular weight of 3111.71 g/mol. Its IUPAC name is 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID159113559
Molecular FormulaC163H176F4N38O15S4
Molecular Weight3111.71 g/mol
Exact Mass3109.30
IUPAC Name6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(c2ncc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CC(=O)N1CCCC(c2cn(C)c(-c3cc4cnc(Nc5ccc(OC6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)n2)C1.Cc1cc(-c2ccoc2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1cc(C2CC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCN(S(C)(=O)=O)CC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O
InChIInChI=1S/C35H39N7O4S2.C33H33FN8O3.C32H35N9O3S.C32H36N6O2S.C31H33F3N8O3/c1-23-18-25(24-10-15-41(16-11-24)48(3,44)45)4-9-30(23)31-19-26-20-37-35(39-33(26)42(34(31)43)22-32-36-13-17-47-32)38-27-5-7-28(8-6-27)46-29-12-14-40(2)21-29;1-21-14-28(22-6-13-45-20-22)36-18-26(21)25-15-23-17-37-33(38-24-4-5-29(27(34)16-24)40-11-7-35-8-12-40)39-31(23)42(32(25)44)19-30(43)41-9-2-3-10-41;1-20(42)40-14-3-4-21(18-40)27-19-39(2)29(37-27)26-16-22-17-35-31(38-28(22)41(30(26)43)32-34-13-15-45-32)36-23-5-7-24(8-6-23)44-25-9-11-33-12-10-25;1-20-14-24(22-2-3-22)16-34-29(20)27-15-25-17-35-32(36-26-6-4-23(5-7-26)28-18-33-10-13-41-28)37-30(25)38(31(27)39)19-21-8-11-40-12-9-21;1-19(43)41-11-8-20(9-12-41)27-36-15-22(16-37-27)26-13-21-14-38-30(40-28(21)42(29(26)44)18-31(32,33)34)39-23-4-6-24(7-5-23)45-25-3-2-10-35-17-25/h4-9,13,17-20,24,29H,10-12,14-16,21-22H2,1-3H3,(H,37,38,39);4-6,13-18,20,35H,2-3,7-12,19H2,1H3,(H,37,38,39);5-8,13,15-17,19,21,25,33H,3-4,9-12,14,18H2,1-2H3,(H,35,36,38);4-7,14-17,21-22,28,33H,2-3,8-13,18-19H2,1H3,(H,35,36,37);4-7,13-16,20,25,35H,2-3,8-12,17-18H2,1H3,(H,38,39,40)
InChIKeyKEUJSDSJNXEBCL-UHFFFAOYSA-N
XLogP23.81
TPSA597.18 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds37
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003111.71
LogP ≤ 523.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159113559) is 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCC(c2ncc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CC(=O)N1CCCC(c2cn(C)c(-c3cc4cnc(Nc5ccc(OC6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)n2)C1.Cc1cc(-c2ccoc2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1cc(C2CC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCN(S(C)(=O)=O)CC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.
What is the InChIKey of 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KEUJSDSJNXEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O4S2.C33H33FN8O3.C32H35N9O3S.C32H36N6O2S.C31H33F3N8O3/c1-23-18-25(24-10-15-41(16-11-24)48(3,44)45)4-9-30(23)31-19-26-20-37-35(39-33(26)42(34(31)43)22-32-36-13-17-47-32)38-27-5-7-28(8-6-27)46-29-12-14-40(2)21-29;1-21-14-28(22-6-13-45-20-22)36-18-26(21)25-15-23-17-37-33(38-24-4-5-29(27(34)16-24)40-11-7-35-8-12-40)39-31(23)42(32(25)44)19-30(43)41-9-2-3-10-41;1-20(42)40-14-3-4-21(18-40)27-19-39(2)29(37-27)26-16-22-17-35-31(38-28(22)41(30(26)43)32-34-13-15-45-32)36-23-5-7-24(8-6-23)44-25-9-11-33-12-10-25;1-20-14-24(22-2-3-22)16-34-29(20)27-15-25-17-35-32(36-26-6-4-23(5-7-26)28-18-33-10-13-41-28)37-30(25)38(31(27)39)19-21-8-11-40-12-9-21;1-19(43)41-11-8-20(9-12-41)27-36-15-22(16-37-27)26-13-21-14-38-30(40-28(21)42(29(26)44)18-31(32,33)34)39-23-4-6-24(7-5-23)45-25-3-2-10-35-17-25/h4-9,13,17-20,24,29H,10-12,14-16,21-22H2,1-3H3,(H,37,38,39);4-6,13-18,20,35H,2-3,7-12,19H2,1H3,(H,37,38,39);5-8,13,15-17,19,21,25,33H,3-4,9-12,14,18H2,1-2H3,(H,35,36,38);4-7,14-17,21-22,28,33H,2-3,8-13,18-19H2,1H3,(H,35,36,37);4-7,13-16,20,25,35H,2-3,8-12,17-18H2,1H3,(H,38,39,40).
What are the key properties of 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3111.71 g/mol, XLogP of 23.81, 37 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159113559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).