6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C142H166Cl2F3N31O9S — CID 161483600

IUPAC6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)N1CCCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(CC)c3=O)c(Cl)c2)C1.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCCC1C1=NC(c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)=C(C)C1.CC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1
InChIInChI=1S/C38H48N8O4S.C37H39F3N8O2.C34H40ClN7O.C33H39ClN8O2/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;1-22-17-27(10-11-31(22)46-15-12-41-13-16-46)43-36-42-20-26-19-28(33-23(2)18-30(44-33)32-9-6-14-47(32)24(3)49)35(50)48(34(26)45-36)21-25-7-4-5-8-29(25)37(38,39)40;1-4-42-32-25(20-37-34(40-32)39-27-10-8-26(9-11-27)38-28-13-15-36-16-14-28)18-30(33(42)43)29-12-7-23(19-31(29)35)24-6-5-17-41(21-24)22(2)3;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);4-5,7-8,10-11,17,19-20,32,41H,6,9,12-16,18,21H2,1-3H3,(H,42,43,45);7-12,18-20,24,28,36,38H,2,4-6,13-17,21H2,1,3H3,(H,37,39,40);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39)
InChIKeyWERNNTRCYNAEKG-UHFFFAOYSA-N
MW2611.06 g/mol
LogP23.68
Rot. Bonds30

About 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161483600) has the molecular formula C142H166Cl2F3N31O9S and a molecular weight of 2611.06 g/mol. Its IUPAC name is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID161483600
Molecular FormulaC142H166Cl2F3N31O9S
Molecular Weight2611.06 g/mol
Exact Mass2608.25
IUPAC Name6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)N1CCCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(CC)c3=O)c(Cl)c2)C1.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCCC1C1=NC(c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)=C(C)C1.CC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1
InChIInChI=1S/C38H48N8O4S.C37H39F3N8O2.C34H40ClN7O.C33H39ClN8O2/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;1-22-17-27(10-11-31(22)46-15-12-41-13-16-46)43-36-42-20-26-19-28(33-23(2)18-30(44-33)32-9-6-14-47(32)24(3)49)35(50)48(34(26)45-36)21-25-7-4-5-8-29(25)37(38,39)40;1-4-42-32-25(20-37-34(40-32)39-27-10-8-26(9-11-27)38-28-13-15-36-16-14-28)18-30(33(42)43)29-12-7-23(19-31(29)35)24-6-5-17-41(21-24)22(2)3;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);4-5,7-8,10-11,17,19-20,32,41H,6,9,12-16,18,21H2,1-3H3,(H,42,43,45);7-12,18-20,24,28,36,38H,2,4-6,13-17,21H2,1,3H3,(H,37,39,40);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39)
InChIKeyWERNNTRCYNAEKG-UHFFFAOYSA-N
XLogP23.68
TPSA444.70 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.06
LogP ≤ 523.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[[1-(Benzenesulfonyl)pyrrol-2-yl]methyl]-6-(2-chloro-4-methylphenyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89632555
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
6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157341464
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 157809697
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(4-methyl-2-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 158009039
8-ethyl-6-[3-methyl-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158439992
6-[2-Chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 158561033
N-[1-[1-[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(1-phenylpiperidin-4-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(1-phenylpyrrolidin-3-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(1-phenylpyrrolidin-3-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159062595
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-4-methylpyrimidin-5-yl)-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide
CID 159541126
1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(3H-isoindol-5-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-1,3-dihydroindol-2-one;2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]phenyl]acetamide;1-[4-[7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159841013
6-[3-Chloro-5-(oxan-4-yl)-2-pyridinyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2,6-dichloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 159985559
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159985774

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161483600) is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(CC)c3=O)c(Cl)c2)C1.CC(=O)N1CCC(c2cc(C)ccc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)CC1.CC(=O)N1CCCC1C1=NC(c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)=C(C)C1.CC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1.
What is the InChIKey of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WERNNTRCYNAEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N8O4S.C37H39F3N8O2.C34H40ClN7O.C33H39ClN8O2/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;1-22-17-27(10-11-31(22)46-15-12-41-13-16-46)43-36-42-20-26-19-28(33-23(2)18-30(44-33)32-9-6-14-47(32)24(3)49)35(50)48(34(26)45-36)21-25-7-4-5-8-29(25)37(38,39)40;1-4-42-32-25(20-37-34(40-32)39-27-10-8-26(9-11-27)38-28-13-15-36-16-14-28)18-30(33(42)43)29-12-7-23(19-31(29)35)24-6-5-17-41(21-24)22(2)3;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43/h6-11,21-23,27,31-32,39,41H,4-5,12-20,24H2,1-3H3,(H,40,42,43);4-5,7-8,10-11,17,19-20,32,41H,6,9,12-16,18,21H2,1-3H3,(H,42,43,45);7-12,18-20,24,28,36,38H,2,4-6,13-17,21H2,1,3H3,(H,37,39,40);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39).
What are the key properties of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2611.06 g/mol, XLogP of 23.68, 30 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[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;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161483600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).