6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C169H196F3N37O10 — CID 158304850

IUPAC6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)nc1.CC(=O)C1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C36H37N7O2.C35H43N7O2.C34H41N7O2.C32H34F3N7O3.C32H41N9O/c1-24(2)42-17-7-10-32(42)26-13-16-31(37-21-26)30-20-27-22-38-36(40-34(27)43(35(30)44)29-8-5-4-6-9-29)39-28-14-11-25(12-15-28)33-23-41(3)18-19-45-33;1-23(43)26-9-10-27(19-26)24-5-7-25(8-6-24)32-20-28-21-36-35(39-33(28)42(34(32)44)18-17-40(2)3)38-30-13-11-29(12-14-30)37-31-15-16-41(4)22-31;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-20(43)41-13-10-21(11-14-41)28-9-4-22(16-37-28)27-15-23-17-38-31(40-29(23)42(30(27)44)19-32(33,34)35)39-24-5-7-25(8-6-24)45-26-3-2-12-36-18-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h4-6,8-9,11-16,20-22,32-33H,1,7,10,17-19,23H2,2-3H3,(H,38,39,40);5-8,11-14,20-21,26-27,31,37H,9-10,15-19,22H2,1-4H3,(H,36,38,39);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);4-9,15-17,21,26,36H,2-3,10-14,18-19H2,1H3,(H,38,39,40);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38)
InChIKeyGMYJICVNQPRUJX-UHFFFAOYSA-N
MW2962.67 g/mol
LogP27.06
Rot. Bonds38

About 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158304850) has the molecular formula C169H196F3N37O10 and a molecular weight of 2962.67 g/mol. Its IUPAC name is 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158304850
Molecular FormulaC169H196F3N37O10
Molecular Weight2962.67 g/mol
Exact Mass2960.59
IUPAC Name6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)nc1.CC(=O)C1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C36H37N7O2.C35H43N7O2.C34H41N7O2.C32H34F3N7O3.C32H41N9O/c1-24(2)42-17-7-10-32(42)26-13-16-31(37-21-26)30-20-27-22-38-36(40-34(27)43(35(30)44)29-8-5-4-6-9-29)39-28-14-11-25(12-15-28)33-23-41(3)18-19-45-33;1-23(43)26-9-10-27(19-26)24-5-7-25(8-6-24)32-20-28-21-36-35(39-33(28)42(34(32)44)18-17-40(2)3)38-30-13-11-29(12-14-30)37-31-15-16-41(4)22-31;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-20(43)41-13-10-21(11-14-41)28-9-4-22(16-37-28)27-15-23-17-38-31(40-29(23)42(30(27)44)19-32(33,34)35)39-24-5-7-25(8-6-24)45-26-3-2-12-36-18-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h4-6,8-9,11-16,20-22,32-33H,1,7,10,17-19,23H2,2-3H3,(H,38,39,40);5-8,11-14,20-21,26-27,31,37H,9-10,15-19,22H2,1-4H3,(H,36,38,39);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);4-9,15-17,21,26,36H,2-3,10-14,18-19H2,1H3,(H,38,39,40);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38)
InChIKeyGMYJICVNQPRUJX-UHFFFAOYSA-N
XLogP27.06
TPSA499.34 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002962.67
LogP ≤ 527.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
8-[(3-cyclopentyl-1H-imidazol-3-ium-4-yl)methyl]-6-[2-(4-methylphenyl)ethynyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[(1-propan-2-ylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-fluorophenoxy)ethynyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethyl)furan-2-yl]methyl]-6-[2-(2-methylphenyl)ethynyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157137620
6-(4-Cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-3-ium-4-yl]-8-phenyl-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157389647
6-[4-Methyl-2-(1-methylpiperidin-3-yl)pyrimidin-5-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-2-[4-(oxan-2-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157670050
8-cyclopentyl-6-[2-(2-fluorophenoxy)ethynyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-6-[2-(4-methylphenyl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrazol-1-ylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157888959
8-[[2-[2-(dimethylamino)ethyl]furan-3-yl]methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-2-(4-piperidin-3-ylanilino)-8-[[5-(2,2,2-trifluoroethyl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;6-[2-(oxan-2-yl)ethynyl]-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157919297
8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyridin-2-ylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(1-methylsulfinylpiperidin-4-yl)-2-(4-piperidin-3-yloxyanilino)-6-(5-pyridin-4-yl-1H-imidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 158024115
6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158127716
6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158266415
8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158312530
6-(4-Cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158413340
6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane
CID 158493581

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158304850) is 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3ccccc3)c2=O)nc1.CC(=O)C1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(CC(F)(F)F)c3=O)cn2)CC1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.
What is the InChIKey of 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GMYJICVNQPRUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O2.C35H43N7O2.C34H41N7O2.C32H34F3N7O3.C32H41N9O/c1-24(2)42-17-7-10-32(42)26-13-16-31(37-21-26)30-20-27-22-38-36(40-34(27)43(35(30)44)29-8-5-4-6-9-29)39-28-14-11-25(12-15-28)33-23-41(3)18-19-45-33;1-23(43)26-9-10-27(19-26)24-5-7-25(8-6-24)32-20-28-21-36-35(39-33(28)42(34(32)44)18-17-40(2)3)38-30-13-11-29(12-14-30)37-31-15-16-41(4)22-31;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-20(43)41-13-10-21(11-14-41)28-9-4-22(16-37-28)27-15-23-17-38-31(40-29(23)42(30(27)44)19-32(33,34)35)39-24-5-7-25(8-6-24)45-26-3-2-12-36-18-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h4-6,8-9,11-16,20-22,32-33H,1,7,10,17-19,23H2,2-3H3,(H,38,39,40);5-8,11-14,20-21,26-27,31,37H,9-10,15-19,22H2,1-4H3,(H,36,38,39);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);4-9,15-17,21,26,36H,2-3,10-14,18-19H2,1H3,(H,38,39,40);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38).
What are the key properties of 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2962.67 g/mol, XLogP of 27.06, 38 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158304850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).