6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

C179H188N40O6S3 — CID 158830237

IUPAC6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2-c2cccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2nccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H31N7O.C30H31N7OS.C30H35N7O.C30H30N6OS.C29H29N7OS.C29H32N6O/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-37-28-21(19-26(29(37)38)24-7-4-5-8-25(24)27-9-6-14-31-27)20-32-30(34-28)33-22-10-12-23(13-11-22)36-17-15-35(2)16-18-36;1-3-36-28-21(19-26(29(36)37)24-7-4-5-8-25(24)27-9-6-18-38-27)20-31-30(33-28)32-22-10-12-23(13-11-22)35-16-14-34(2)15-17-35;1-3-36-26-20(18-25(28(36)37)23-6-4-5-7-24(23)27-30-12-17-38-27)19-31-29(33-26)32-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35;1-3-35-27-21(18-26(28(35)36)25-7-5-4-6-24(25)20-8-9-20)19-30-29(32-27)31-22-10-12-23(13-11-22)34-16-14-33(2)15-17-34/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);4-5,7-8,10-13,19-20,27,31H,3,6,9,14-18H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-7,10-13,18-20H,3,8-9,14-17H2,1-2H3,(H,30,31,32)
InChIKeyIWYKBQAQXKWXDX-UHFFFAOYSA-N
MW3091.95 g/mol
LogP30.49
Rot. Bonds36

About 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158830237) has the molecular formula C179H188N40O6S3 and a molecular weight of 3091.95 g/mol. Its IUPAC name is 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID158830237
Molecular FormulaC179H188N40O6S3
Molecular Weight3091.95 g/mol
Exact Mass3089.48
IUPAC Name6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2-c2cccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2nccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C31H31N7O.C30H31N7OS.C30H35N7O.C30H30N6OS.C29H29N7OS.C29H32N6O/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-37-28-21(19-26(29(37)38)24-7-4-5-8-25(24)27-9-6-14-31-27)20-32-30(34-28)33-22-10-12-23(13-11-22)36-17-15-35(2)16-18-36;1-3-36-28-21(19-26(29(36)37)24-7-4-5-8-25(24)27-9-6-18-38-27)20-31-30(33-28)32-22-10-12-23(13-11-22)35-16-14-34(2)15-17-35;1-3-36-26-20(18-25(28(36)37)23-6-4-5-7-24(23)27-30-12-17-38-27)19-31-29(33-26)32-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35;1-3-35-27-21(18-26(28(35)36)25-7-5-4-6-24(25)20-8-9-20)19-30-29(32-27)31-22-10-12-23(13-11-22)34-16-14-33(2)15-17-34/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);4-5,7-8,10-13,19-20,27,31H,3,6,9,14-18H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-7,10-13,18-20H,3,8-9,14-17H2,1-2H3,(H,30,31,32)
InChIKeyIWYKBQAQXKWXDX-UHFFFAOYSA-N
XLogP30.49
TPSA448.44 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds36
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003091.95
LogP ≤ 530.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(5-Cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 70934290
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
CID 71249824
2-[3-Fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 90210755
6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157062439
6-[2-Chloro-4-(1,3-thiazol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157373506
2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157741507
6-[4-Methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)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 158150449
6-[4-Methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)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 158153469
1-(cyclopropylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]propanamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]thiophene-2-carboxamide
CID 158611135
8-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-ethyl-6-[2-(1,3-thiazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-propan-2-yl-6-[4-(3H-pyrrol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158969635
8-[[4-(benzenesulfinyl)phenyl]methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)-8-[[3-(2,2,2-trifluoroethylsulfonyl)-4-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159129328
Methane;6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1,3-thiazol-4-yl)pyrimidin-4-yl]-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159215836

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 158830237) is 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2-c2cccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2csc(C)n2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2nccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IWYKBQAQXKWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O.C30H31N7OS.C30H35N7O.C30H30N6OS.C29H29N7OS.C29H32N6O/c1-3-38-29-23(20-28(30(38)39)27-7-5-4-6-26(27)22-12-14-32-15-13-22)21-33-31(35-29)34-24-8-10-25(11-9-24)37-18-16-36(2)17-19-37;1-4-37-28-21(17-26(29(37)38)24-7-5-6-8-25(24)27-19-39-20(2)32-27)18-31-30(34-28)33-22-9-11-23(12-10-22)36-15-13-35(3)14-16-36;1-3-37-28-21(19-26(29(37)38)24-7-4-5-8-25(24)27-9-6-14-31-27)20-32-30(34-28)33-22-10-12-23(13-11-22)36-17-15-35(2)16-18-36;1-3-36-28-21(19-26(29(36)37)24-7-4-5-8-25(24)27-9-6-18-38-27)20-31-30(33-28)32-22-10-12-23(13-11-22)35-16-14-34(2)15-17-35;1-3-36-26-20(18-25(28(36)37)23-6-4-5-7-24(23)27-30-12-17-38-27)19-31-29(33-26)32-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35;1-3-35-27-21(18-26(28(35)36)25-7-5-4-6-24(25)20-8-9-20)19-30-29(32-27)31-22-10-12-23(13-11-22)34-16-14-33(2)15-17-34/h4-15,20-21H,3,16-19H2,1-2H3,(H,33,34,35);5-12,17-19H,4,13-16H2,1-3H3,(H,31,33,34);4-5,7-8,10-13,19-20,27,31H,3,6,9,14-18H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-7,10-13,18-20H,3,8-9,14-17H2,1-2H3,(H,30,31,32).
What are the key properties of 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3091.95 g/mol, XLogP of 30.49, 36 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyridin-4-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158830237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).