6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C201H214F3N45O11S2 — CID 159116741

IUPAC6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CCCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(Nc2ncc3cc(-c4cnc(-c5ccccn5)nc4C)c(=O)n(CCN4CCOCC4)c3n2)ccc1N1CCNCC1.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1ncc(-c2cccnc2)nc1-c1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C36H39N7O2.C35H37N9O2.C34H38N10O2.C34H37N7OS.C32H32N6O2S.C30H31F3N6O2/c1-24-31(9-10-33(39-24)27-11-15-37-16-12-27)32-20-29-21-38-36(41-34(29)43(35(32)44)22-25-13-18-45-19-14-25)40-30-7-5-26(6-8-30)28-4-3-17-42(2)23-28;1-23-32(41-30(21-38-23)26-7-5-13-37-19-26)29-17-27-20-39-35(40-28-10-8-24(9-11-28)16-25-6-4-12-36-18-25)42-33(27)44(34(29)46)22-31(45)43-14-2-3-15-43;1-23-19-26(6-7-30(23)43-11-9-35-10-12-43)40-34-38-21-25-20-27(28-22-37-31(39-24(28)2)29-5-3-4-8-36-29)33(45)44(32(25)41-34)14-13-42-15-17-46-18-16-42;1-22-17-30(25-5-3-4-6-25)36-20-29(22)28-18-26-19-37-34(39-32(26)41(33(28)42)21-31-35-13-16-43-31)38-27-9-7-23(8-10-27)24-11-14-40(2)15-12-24;1-20-16-23(21-6-2-3-7-21)18-34-28(20)26-17-24-19-35-31(37-29(24)38(30(26)39)32-33-13-15-41-32)36-25-11-9-22(10-12-25)27-8-4-5-14-40-27;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23/h5-12,15-16,20-21,25,28H,3-4,13-14,17-19,22-23H2,1-2H3,(H,38,40,41);5,7-11,13,17,19-21,25,36H,2-4,6,12,14-16,18,22H2,1H3,(H,39,40,42);3-8,19-22,35H,9-18H2,1-2H3,(H,38,40,41);7-10,13,16-20,24-25H,3-6,11-12,14-15,21H2,1-2H3,(H,37,38,39);9-13,15-19,21,27H,2-8,14H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38)
InChIKeyKFEKFTCSCLIDKA-UHFFFAOYSA-N
MW3557.35 g/mol
LogP33.51
Rot. Bonds43

About 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159116741) has the molecular formula C201H214F3N45O11S2 and a molecular weight of 3557.35 g/mol. Its IUPAC name is 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID159116741
Molecular FormulaC201H214F3N45O11S2
Molecular Weight3557.35 g/mol
Exact Mass3554.70
IUPAC Name6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CCCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(Nc2ncc3cc(-c4cnc(-c5ccccn5)nc4C)c(=O)n(CCN4CCOCC4)c3n2)ccc1N1CCNCC1.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1ncc(-c2cccnc2)nc1-c1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C36H39N7O2.C35H37N9O2.C34H38N10O2.C34H37N7OS.C32H32N6O2S.C30H31F3N6O2/c1-24-31(9-10-33(39-24)27-11-15-37-16-12-27)32-20-29-21-38-36(41-34(29)43(35(32)44)22-25-13-18-45-19-14-25)40-30-7-5-26(6-8-30)28-4-3-17-42(2)23-28;1-23-32(41-30(21-38-23)26-7-5-13-37-19-26)29-17-27-20-39-35(40-28-10-8-24(9-11-28)16-25-6-4-12-36-18-25)42-33(27)44(34(29)46)22-31(45)43-14-2-3-15-43;1-23-19-26(6-7-30(23)43-11-9-35-10-12-43)40-34-38-21-25-20-27(28-22-37-31(39-24(28)2)29-5-3-4-8-36-29)33(45)44(32(25)41-34)14-13-42-15-17-46-18-16-42;1-22-17-30(25-5-3-4-6-25)36-20-29(22)28-18-26-19-37-34(39-32(26)41(33(28)42)21-31-35-13-16-43-31)38-27-9-7-23(8-10-27)24-11-14-40(2)15-12-24;1-20-16-23(21-6-2-3-7-21)18-34-28(20)26-17-24-19-35-31(37-29(24)38(30(26)39)32-33-13-15-41-32)36-25-11-9-22(10-12-25)27-8-4-5-14-40-27;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23/h5-12,15-16,20-21,25,28H,3-4,13-14,17-19,22-23H2,1-2H3,(H,38,40,41);5,7-11,13,17,19-21,25,36H,2-4,6,12,14-16,18,22H2,1H3,(H,39,40,42);3-8,19-22,35H,9-18H2,1-2H3,(H,38,40,41);7-10,13,16-20,24-25H,3-6,11-12,14-15,21H2,1-2H3,(H,37,38,39);9-13,15-19,21,27H,2-8,14H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38)
InChIKeyKFEKFTCSCLIDKA-UHFFFAOYSA-N
XLogP33.51
TPSA631.85 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds43
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003557.35
LogP ≤ 533.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)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-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159116741) is 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CCCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(Nc2ncc3cc(-c4cnc(-c5ccccn5)nc4C)c(=O)n(CCN4CCOCC4)c3n2)ccc1N1CCNCC1.Cc1nc(-c2ccncc2)ccc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1ncc(-c2cccnc2)nc1-c1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KFEKFTCSCLIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N7O2.C35H37N9O2.C34H38N10O2.C34H37N7OS.C32H32N6O2S.C30H31F3N6O2/c1-24-31(9-10-33(39-24)27-11-15-37-16-12-27)32-20-29-21-38-36(41-34(29)43(35(32)44)22-25-13-18-45-19-14-25)40-30-7-5-26(6-8-30)28-4-3-17-42(2)23-28;1-23-32(41-30(21-38-23)26-7-5-13-37-19-26)29-17-27-20-39-35(40-28-10-8-24(9-11-28)16-25-6-4-12-36-18-25)42-33(27)44(34(29)46)22-31(45)43-14-2-3-15-43;1-23-19-26(6-7-30(23)43-11-9-35-10-12-43)40-34-38-21-25-20-27(28-22-37-31(39-24(28)2)29-5-3-4-8-36-29)33(45)44(32(25)41-34)14-13-42-15-17-46-18-16-42;1-22-17-30(25-5-3-4-6-25)36-20-29(22)28-18-26-19-37-34(39-32(26)41(33(28)42)21-31-35-13-16-43-31)38-27-9-7-23(8-10-27)24-11-14-40(2)15-12-24;1-20-16-23(21-6-2-3-7-21)18-34-28(20)26-17-24-19-35-31(37-29(24)38(30(26)39)32-33-13-15-41-32)36-25-11-9-22(10-12-25)27-8-4-5-14-40-27;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23/h5-12,15-16,20-21,25,28H,3-4,13-14,17-19,22-23H2,1-2H3,(H,38,40,41);5,7-11,13,17,19-21,25,36H,2-4,6,12,14-16,18,22H2,1H3,(H,39,40,42);3-8,19-22,35H,9-18H2,1-2H3,(H,38,40,41);7-10,13,16-20,24-25H,3-6,11-12,14-15,21H2,1-2H3,(H,37,38,39);9-13,15-19,21,27H,2-8,14H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38).
What are the key properties of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3557.35 g/mol, XLogP of 33.51, 43 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159116741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).