6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane

C178H217ClF4N40O14S3 — CID 159602444

IUPAC6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane
SMILESC.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCC(n2nc(C)c(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CCN(C)S(C)(=O)=O)c3=O)c2C)C1.CC(=O)N1CCCC1c1nc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C)s1.CCn1c(=O)c(-c2ccc(C3CCCN(C(C)=O)C3)cc2Cl)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCN6C)cc5F)c(=O)n(CCN5CCOCC5)c4n3)cc2)CC1
InChIInChI=1S/C38H48N8O4S.C37H46FN7O2.C36H37F3N8O2S.C33H38ClN7O2.C33H44N10O4S.CH4/c1-25-6-11-33(34(21-25)27-12-17-44(18-13-27)26(2)47)35-22-28-23-40-38(42-30-9-7-29(8-10-30)41-31-5-4-16-39-24-31)43-36(28)46(37(35)48)32-14-19-45(20-15-32)51(3,49)50;1-42-15-12-27(13-16-42)26-6-9-30(10-7-26)40-37-39-25-29-23-32(31-11-8-28(24-33(31)38)34-5-3-4-14-43(34)2)36(46)45(35(29)41-37)18-17-44-19-21-47-22-20-44;1-21-17-26(10-11-29(21)45-15-12-40-13-16-45)42-35-41-19-25-18-27(31-22(2)50-33(43-31)30-9-6-14-46(30)23(3)48)34(49)47(32(25)44-35)20-24-7-4-5-8-28(24)36(37,38)39;1-3-41-31-24(19-36-33(39-31)38-26-9-7-25(8-10-26)37-27-12-14-35-15-13-27)17-29(32(41)43)28-11-6-22(18-30(28)34)23-5-4-16-40(20-23)21(2)42;1-22-30(23(2)43(37-22)28-11-12-41(21-28)24(3)44)29-19-25-20-34-33(36-31(25)42(32(29)45)18-15-39(5)48(6,46)47)35-26-7-9-27(10-8-26)40-16-13-38(4)14-17-40;/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);6-11,23-25,27,34H,3-5,12-22H2,1-2H3,(H,39,40,41);4-5,7-8,10-11,17-19,30,40H,6,9,12-16,20H2,1-3H3,(H,41,42,44);6-11,17-19,23,27,35,37H,3-5,12-16,20H2,1-2H3,(H,36,38,39);7-10,19-20,28H,11-18,21H2,1-6H3,(H,34,35,36);1H4
InChIKeyMLQQWWSXBKQFKL-UHFFFAOYSA-N
MW3348.61 g/mol
LogP25.92
Rot. Bonds39

About 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane

6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane (PubChem CID 159602444) has the molecular formula C178H217ClF4N40O14S3 and a molecular weight of 3348.61 g/mol. Its IUPAC name is 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane.

Molecular Properties

Compound Name6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane
PubChem CID159602444
Molecular FormulaC178H217ClF4N40O14S3
Molecular Weight3348.61 g/mol
Exact Mass3345.63
IUPAC Name6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane
SMILESC.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCC(n2nc(C)c(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CCN(C)S(C)(=O)=O)c3=O)c2C)C1.CC(=O)N1CCCC1c1nc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C)s1.CCn1c(=O)c(-c2ccc(C3CCCN(C(C)=O)C3)cc2Cl)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCN6C)cc5F)c(=O)n(CCN5CCOCC5)c4n3)cc2)CC1
InChIInChI=1S/C38H48N8O4S.C37H46FN7O2.C36H37F3N8O2S.C33H38ClN7O2.C33H44N10O4S.CH4/c1-25-6-11-33(34(21-25)27-12-17-44(18-13-27)26(2)47)35-22-28-23-40-38(42-30-9-7-29(8-10-30)41-31-5-4-16-39-24-31)43-36(28)46(37(35)48)32-14-19-45(20-15-32)51(3,49)50;1-42-15-12-27(13-16-42)26-6-9-30(10-7-26)40-37-39-25-29-23-32(31-11-8-28(24-33(31)38)34-5-3-4-14-43(34)2)36(46)45(35(29)41-37)18-17-44-19-21-47-22-20-44;1-21-17-26(10-11-29(21)45-15-12-40-13-16-45)42-35-41-19-25-18-27(31-22(2)50-33(43-31)30-9-6-14-46(30)23(3)48)34(49)47(32(25)44-35)20-24-7-4-5-8-28(24)36(37,38)39;1-3-41-31-24(19-36-33(39-31)38-26-9-7-25(8-10-26)37-27-12-14-35-15-13-27)17-29(32(41)43)28-11-6-22(18-30(28)34)23-5-4-16-40(20-23)21(2)42;1-22-30(23(2)43(37-22)28-11-12-41(21-28)24(3)44)29-19-25-20-34-33(36-31(25)42(32(29)45)18-15-39(5)48(6,46)47)35-26-7-9-27(10-8-26)40-16-13-38(4)14-17-40;/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);6-11,23-25,27,34H,3-5,12-22H2,1-2H3,(H,39,40,41);4-5,7-8,10-11,17-19,30,40H,6,9,12-16,20H2,1-3H3,(H,41,42,44);6-11,17-19,23,27,35,37H,3-5,12-16,20H2,1-2H3,(H,36,38,39);7-10,19-20,28H,11-18,21H2,1-6H3,(H,34,35,36);1H4
InChIKeyMLQQWWSXBKQFKL-UHFFFAOYSA-N
XLogP25.92
TPSA574.58 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds39
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003348.61
LogP ≤ 525.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane?
The IUPAC name of 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane (CID 159602444) is 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane.
What is the SMILES notation for 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane?
The canonical SMILES for 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane is C.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCC(n2nc(C)c(-c3cc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc4n(CCN(C)S(C)(=O)=O)c3=O)c2C)C1.CC(=O)N1CCCC1c1nc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C)s1.CCn1c(=O)c(-c2ccc(C3CCCN(C(C)=O)C3)cc2Cl)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCN6C)cc5F)c(=O)n(CCN5CCOCC5)c4n3)cc2)CC1.
What is the InChIKey of 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane?
The InChIKey is MLQQWWSXBKQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N8O4S.C37H46FN7O2.C36H37F3N8O2S.C33H38ClN7O2.C33H44N10O4S.CH4/c1-25-6-11-33(34(21-25)27-12-17-44(18-13-27)26(2)47)35-22-28-23-40-38(42-30-9-7-29(8-10-30)41-31-5-4-16-39-24-31)43-36(28)46(37(35)48)32-14-19-45(20-15-32)51(3,49)50;1-42-15-12-27(13-16-42)26-6-9-30(10-7-26)40-37-39-25-29-23-32(31-11-8-28(24-33(31)38)34-5-3-4-14-43(34)2)36(46)45(35(29)41-37)18-17-44-19-21-47-22-20-44;1-21-17-26(10-11-29(21)45-15-12-40-13-16-45)42-35-41-19-25-18-27(31-22(2)50-33(43-31)30-9-6-14-46(30)23(3)48)34(49)47(32(25)44-35)20-24-7-4-5-8-28(24)36(37,38)39;1-3-41-31-24(19-36-33(39-31)38-26-9-7-25(8-10-26)37-27-12-14-35-15-13-27)17-29(32(41)43)28-11-6-22(18-30(28)34)23-5-4-16-40(20-23)21(2)42;1-22-30(23(2)43(37-22)28-11-12-41(21-28)24(3)44)29-19-25-20-34-33(36-31(25)42(32(29)45)18-15-39(5)48(6,46)47)35-26-7-9-27(10-8-26)40-16-13-38(4)14-17-40;/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);6-11,23-25,27,34H,3-5,12-22H2,1-2H3,(H,39,40,41);4-5,7-8,10-11,17-19,30,40H,6,9,12-16,20H2,1-3H3,(H,41,42,44);6-11,17-19,23,27,35,37H,3-5,12-16,20H2,1-2H3,(H,36,38,39);7-10,19-20,28H,11-18,21H2,1-6H3,(H,34,35,36);1H4.
What are the key properties of 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane?
6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane has a molecular weight of 3348.61 g/mol, XLogP of 25.92, 39 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;methane is sourced from PubChem (CID 159602444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).