5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C164H165Cl5FN31O6S — CID 158267324

IUPAC5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(C)CCCc1ccc(Nc2ncc3cc(-c4ccc(-c5ncccc5C)cc4Cl)c(=O)n(CC)c3n2)cc1.CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnc(C)s6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3cc(C)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccc(C(=O)NC)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3F)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C34H34ClN7O2.C33H31ClFN5O.C33H35ClN6O.C32H32ClN7O.C32H33ClN6OS/c1-4-42-31-25(20-38-34(40-31)39-26-9-5-21(6-10-26)22-13-15-41(3)16-14-22)17-28(33(42)44)27-11-7-23(18-29(27)35)24-8-12-30(37-19-24)32(43)36-2;1-3-40-31-24(18-28(32(40)41)27-13-10-23(19-29(27)34)26-6-4-5-7-30(26)35)20-36-33(38-31)37-25-11-8-21(9-12-25)22-14-16-39(2)17-15-22;1-5-39(4)18-8-10-23-11-14-26(15-12-23)37-33-36-21-25-19-28(32(41)40(6-2)31(25)38-33)27-16-13-24(20-29(27)34)30-22(3)9-7-17-35-30;1-4-40-30-24(16-27(31(40)41)26-10-7-23(17-28(26)33)29-15-20(2)35-19-36-29)18-34-32(38-30)37-25-8-5-21(6-9-25)22-11-13-39(3)14-12-22;1-4-38-14-12-22(13-15-38)21-6-9-25(10-7-21)36-32-35-18-24-16-27(31(40)39(5-2)30(24)37-32)26-11-8-23(17-28(26)33)29-19-34-20(3)41-29/h5-12,17-20,22H,4,13-16H2,1-3H3,(H,36,43)(H,38,39,40);4-13,18-20,22H,3,14-17H2,1-2H3,(H,36,37,38);7,9,11-17,19-21H,5-6,8,10,18H2,1-4H3,(H,36,37,38);5-10,15-19,22H,4,11-14H2,1-3H3,(H,34,37,38);6-11,16-19,22H,4-5,12-15H2,1-3H3,(H,35,36,37)
InChIKeyGIPMTRMXFYWAKY-UHFFFAOYSA-N
MW2894.66 g/mol
LogP34.68
Rot. Bonds36

About 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158267324) has the molecular formula C164H165Cl5FN31O6S and a molecular weight of 2894.66 g/mol. Its IUPAC name is 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158267324
Molecular FormulaC164H165Cl5FN31O6S
Molecular Weight2894.66 g/mol
Exact Mass2890.17
IUPAC Name5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(C)CCCc1ccc(Nc2ncc3cc(-c4ccc(-c5ncccc5C)cc4Cl)c(=O)n(CC)c3n2)cc1.CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnc(C)s6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3cc(C)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccc(C(=O)NC)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3F)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C34H34ClN7O2.C33H31ClFN5O.C33H35ClN6O.C32H32ClN7O.C32H33ClN6OS/c1-4-42-31-25(20-38-34(40-31)39-26-9-5-21(6-10-26)22-13-15-41(3)16-14-22)17-28(33(42)44)27-11-7-23(18-29(27)35)24-8-12-30(37-19-24)32(43)36-2;1-3-40-31-24(18-28(32(40)41)27-13-10-23(19-29(27)34)26-6-4-5-7-30(26)35)20-36-33(38-31)37-25-11-8-21(9-12-25)22-14-16-39(2)17-15-22;1-5-39(4)18-8-10-23-11-14-26(15-12-23)37-33-36-21-25-19-28(32(41)40(6-2)31(25)38-33)27-16-13-24(20-29(27)34)30-22(3)9-7-17-35-30;1-4-40-30-24(16-27(31(40)41)26-10-7-23(17-28(26)33)29-15-20(2)35-19-36-29)18-34-32(38-30)37-25-8-5-21(6-9-25)22-11-13-39(3)14-12-22;1-4-38-14-12-22(13-15-38)21-6-9-25(10-7-21)36-32-35-18-24-16-27(31(40)39(5-2)30(24)37-32)26-11-8-23(17-28(26)33)29-19-34-20(3)41-29/h5-12,17-20,22H,4,13-16H2,1-3H3,(H,36,43)(H,38,39,40);4-13,18-20,22H,3,14-17H2,1-2H3,(H,36,37,38);7,9,11-17,19-21H,5-6,8,10,18H2,1-4H3,(H,36,37,38);5-10,15-19,22H,4,11-14H2,1-3H3,(H,34,37,38);6-11,16-19,22H,4-5,12-15H2,1-3H3,(H,35,36,37)
InChIKeyGIPMTRMXFYWAKY-UHFFFAOYSA-N
XLogP34.68
TPSA408.80 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002894.66
LogP ≤ 534.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-Chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934076
6-[2-Chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249726
4-[3-chloro-4-[8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide
CID 89474010
6-[2-Chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474079
6-[2-Chloro-5-fluoro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474081
6-[2-Chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474094
6-[2-Chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89628161
6-[2-Chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89628253
N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 123153030
6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 157061107
tert-butyl 4-[3-[6-[3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]propyl]piperazine-1-carboxylate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-piperazin-1-ylpropyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 157115121
6-[6-(1-Acetylpiperidin-3-yl)-4-methyl-3-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157133112

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158267324) is 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCN(C)CCCc1ccc(Nc2ncc3cc(-c4ccc(-c5ncccc5C)cc4Cl)c(=O)n(CC)c3n2)cc1.CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnc(C)s6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3cc(C)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccc(C(=O)NC)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3F)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GIPMTRMXFYWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClN7O2.C33H31ClFN5O.C33H35ClN6O.C32H32ClN7O.C32H33ClN6OS/c1-4-42-31-25(20-38-34(40-31)39-26-9-5-21(6-10-26)22-13-15-41(3)16-14-22)17-28(33(42)44)27-11-7-23(18-29(27)35)24-8-12-30(37-19-24)32(43)36-2;1-3-40-31-24(18-28(32(40)41)27-13-10-23(19-29(27)34)26-6-4-5-7-30(26)35)20-36-33(38-31)37-25-11-8-21(9-12-25)22-14-16-39(2)17-15-22;1-5-39(4)18-8-10-23-11-14-26(15-12-23)37-33-36-21-25-19-28(32(41)40(6-2)31(25)38-33)27-16-13-24(20-29(27)34)30-22(3)9-7-17-35-30;1-4-40-30-24(16-27(31(40)41)26-10-7-23(17-28(26)33)29-15-20(2)35-19-36-29)18-34-32(38-30)37-25-8-5-21(6-9-25)22-11-13-39(3)14-12-22;1-4-38-14-12-22(13-15-38)21-6-9-25(10-7-21)36-32-35-18-24-16-27(31(40)39(5-2)30(24)37-32)26-11-8-23(17-28(26)33)29-19-34-20(3)41-29/h5-12,17-20,22H,4,13-16H2,1-3H3,(H,36,43)(H,38,39,40);4-13,18-20,22H,3,14-17H2,1-2H3,(H,36,37,38);7,9,11-17,19-21H,5-6,8,10,18H2,1-4H3,(H,36,37,38);5-10,15-19,22H,4,11-14H2,1-3H3,(H,34,37,38);6-11,16-19,22H,4-5,12-15H2,1-3H3,(H,35,36,37).
What are the key properties of 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2894.66 g/mol, XLogP of 34.68, 36 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide;6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[4-[3-[ethyl(methyl)amino]propyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).