6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C160H168Cl2F5N41O7S2 — CID 157314748

IUPAC6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2nccn2-c2cnnn2C)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6=CCC=C6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)CC1.Cc1cc(C2CCN(C)C2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nn(C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2CCCC2)c1=O.Cn1ccc(-c2cc(Cl)c(-c3cc4cnc(Nc5ccc(C6CNCCS6)cc5)nc4n(C4CCOC4)c3=O)c(Cl)c2)c1
InChIInChI=1S/C37H38F4N8O.C32H30Cl2N6O2S.C32H30N8OS.C32H39N7O2.C27H31FN12O/c1-22-14-32(25-10-12-47(3)20-25)43-19-29(22)28-15-26-18-44-36(45-27-8-9-33(31(38)16-27)48-13-11-42-17-23(48)2)46-34(26)49(35(28)50)21-24-6-4-5-7-30(24)37(39,40)41;1-39-9-6-20(17-39)21-13-26(33)29(27(34)14-21)25-12-22-15-36-32(38-30(22)40(31(25)41)24-7-10-42-18-24)37-23-4-2-19(3-5-23)28-16-35-8-11-43-28;1-39-15-12-26(13-16-39)36-24-7-9-25(10-8-24)37-31-35-20-23-18-27(28-11-6-22(19-34-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-33-14-17-42-32;1-20-29(21(2)39(37-20)27-12-15-41-16-13-27)28-17-24-19-34-32(36-30(24)38(31(28)40)26-5-3-4-6-26)35-25-9-7-22(8-10-25)23-11-14-33-18-23;1-36(2)12-13-40-24-18(14-20(26(40)41)25-30-8-11-39(25)23-17-32-35-37(23)3)16-31-27(34-24)33-19-4-5-22(21(28)15-19)38-9-6-29-7-10-38/h4-9,14-16,18-19,23,25,42H,10-13,17,20-21H2,1-3H3,(H,44,45,46);2-6,9,12-15,17,24,28,35H,7-8,10-11,16,18H2,1H3,(H,36,37,38);2,4-11,14,17-20,26,36H,3,12-13,15-16H2,1H3,(H,35,37,38);7-10,17,19,23,26-27,33H,3-6,11-16,18H2,1-2H3,(H,34,35,36);4-5,8,11,14-17,29H,6-7,9-10,12-13H2,1-3H3,(H,31,33,34)
InChIKeyBDLPXFOZAWLLEV-UHFFFAOYSA-N
MW3007.41 g/mol
LogP26.26
Rot. Bonds34

About 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157314748) has the molecular formula C160H168Cl2F5N41O7S2 and a molecular weight of 3007.41 g/mol. Its IUPAC name is 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID157314748
Molecular FormulaC160H168Cl2F5N41O7S2
Molecular Weight3007.41 g/mol
Exact Mass3004.28
IUPAC Name6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2nccn2-c2cnnn2C)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6=CCC=C6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)CC1.Cc1cc(C2CCN(C)C2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nn(C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2CCCC2)c1=O.Cn1ccc(-c2cc(Cl)c(-c3cc4cnc(Nc5ccc(C6CNCCS6)cc5)nc4n(C4CCOC4)c3=O)c(Cl)c2)c1
InChIInChI=1S/C37H38F4N8O.C32H30Cl2N6O2S.C32H30N8OS.C32H39N7O2.C27H31FN12O/c1-22-14-32(25-10-12-47(3)20-25)43-19-29(22)28-15-26-18-44-36(45-27-8-9-33(31(38)16-27)48-13-11-42-17-23(48)2)46-34(26)49(35(28)50)21-24-6-4-5-7-30(24)37(39,40)41;1-39-9-6-20(17-39)21-13-26(33)29(27(34)14-21)25-12-22-15-36-32(38-30(22)40(31(25)41)24-7-10-42-18-24)37-23-4-2-19(3-5-23)28-16-35-8-11-43-28;1-39-15-12-26(13-16-39)36-24-7-9-25(10-8-24)37-31-35-20-23-18-27(28-11-6-22(19-34-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-33-14-17-42-32;1-20-29(21(2)39(37-20)27-12-15-41-16-13-27)28-17-24-19-34-32(36-30(24)38(31(28)40)26-5-3-4-6-26)35-25-9-7-22(8-10-25)23-11-14-33-18-23;1-36(2)12-13-40-24-18(14-20(26(40)41)25-30-8-11-39(25)23-17-32-35-37(23)3)16-31-27(34-24)33-19-4-5-22(21(28)15-19)38-9-6-29-7-10-38/h4-9,14-16,18-19,23,25,42H,10-13,17,20-21H2,1-3H3,(H,44,45,46);2-6,9,12-15,17,24,28,35H,7-8,10-11,16,18H2,1H3,(H,36,37,38);2,4-11,14,17-20,26,36H,3,12-13,15-16H2,1H3,(H,35,37,38);7-10,17,19,23,26-27,33H,3-6,11-16,18H2,1-2H3,(H,34,35,36);4-5,8,11,14-17,29H,6-7,9-10,12-13H2,1-3H3,(H,31,33,34)
InChIKeyBDLPXFOZAWLLEV-UHFFFAOYSA-N
XLogP26.26
TPSA503.81 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.41
LogP ≤ 526.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]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-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 157314748) is 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2nccn2-c2cnnn2C)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6=CCC=C6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)CC1.Cc1cc(C2CCN(C)C2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nn(C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2CCCC2)c1=O.Cn1ccc(-c2cc(Cl)c(-c3cc4cnc(Nc5ccc(C6CNCCS6)cc5)nc4n(C4CCOC4)c3=O)c(Cl)c2)c1.
What is the InChIKey of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BDLPXFOZAWLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F4N8O.C32H30Cl2N6O2S.C32H30N8OS.C32H39N7O2.C27H31FN12O/c1-22-14-32(25-10-12-47(3)20-25)43-19-29(22)28-15-26-18-44-36(45-27-8-9-33(31(38)16-27)48-13-11-42-17-23(48)2)46-34(26)49(35(28)50)21-24-6-4-5-7-30(24)37(39,40)41;1-39-9-6-20(17-39)21-13-26(33)29(27(34)14-21)25-12-22-15-36-32(38-30(22)40(31(25)41)24-7-10-42-18-24)37-23-4-2-19(3-5-23)28-16-35-8-11-43-28;1-39-15-12-26(13-16-39)36-24-7-9-25(10-8-24)37-31-35-20-23-18-27(28-11-6-22(19-34-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-33-14-17-42-32;1-20-29(21(2)39(37-20)27-12-15-41-16-13-27)28-17-24-19-34-32(36-30(24)38(31(28)40)26-5-3-4-6-26)35-25-9-7-22(8-10-25)23-11-14-33-18-23;1-36(2)12-13-40-24-18(14-20(26(40)41)25-30-8-11-39(25)23-17-32-35-37(23)3)16-31-27(34-24)33-19-4-5-22(21(28)15-19)38-9-6-29-7-10-38/h4-9,14-16,18-19,23,25,42H,10-13,17,20-21H2,1-3H3,(H,44,45,46);2-6,9,12-15,17,24,28,35H,7-8,10-11,16,18H2,1H3,(H,36,37,38);2,4-11,14,17-20,26,36H,3,12-13,15-16H2,1H3,(H,35,37,38);7-10,17,19,23,26-27,33H,3-6,11-16,18H2,1-2H3,(H,34,35,36);4-5,8,11,14-17,29H,6-7,9-10,12-13H2,1-3H3,(H,31,33,34).
What are the key properties of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3007.41 g/mol, XLogP of 26.26, 34 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-methyl-6-(1-methylpyrrolidin-3-yl)-3-pyridinyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157314748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).