8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

C147H153N37O8 — CID 159306573

IUPAC8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2nccn2C2CC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN(C)CCn1c(=O)c(-c2nc(-c3cnco3)cn2C)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccco6)cn5)c(=O)n(C5CCCC5)c4n3)cc2)C1.O=c1c(-c2ccc(C3=CCN=C3)cc2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CC1.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C32H32N6O2.C32H32N6O.C30H30N8O2.C28H32N10O2.C25H27N7O/c1-37-15-14-23(20-37)21-8-11-25(12-9-21)35-32-34-19-24-17-27(28-13-10-22(18-33-28)29-7-4-16-40-29)31(39)38(30(24)36-32)26-5-2-3-6-26;39-31-29(25-5-3-23(4-6-25)26-13-16-34-18-26)17-27-19-35-32(37-30(27)38(31)20-21-1-2-21)36-28-9-7-22(8-10-28)24-11-14-33-15-12-24;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-35(2)12-13-38-25-19(14-22(27(38)39)26-33-23(17-36(26)3)24-16-30-18-40-24)15-31-28(34-25)32-20-4-6-21(7-5-20)37-10-8-29-9-11-37;1-2-31-22-18(13-21(24(31)33)23-27-11-12-32(23)20-7-8-20)15-28-25(30-22)29-19-5-3-16(4-6-19)17-9-10-26-14-17/h4,7-13,16-19,23,26H,2-3,5-6,14-15,20H2,1H3,(H,34,35,36);3-10,13,17-19,21,24,33H,1-2,11-12,14-16,20H2,(H,35,36,37);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-7,14-18,29H,8-13H2,1-3H3,(H,31,32,34);3-6,11-13,15,17,20,26H,2,7-10,14H2,1H3,(H,28,29,30)
InChIKeyLBZMPANUFGQTQY-UHFFFAOYSA-N
MW2566.09 g/mol
LogP22.57
Rot. Bonds33

About 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159306573) has the molecular formula C147H153N37O8 and a molecular weight of 2566.09 g/mol. Its IUPAC name is 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159306573
Molecular FormulaC147H153N37O8
Molecular Weight2566.09 g/mol
Exact Mass2564.27
IUPAC Name8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2nccn2C2CC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN(C)CCn1c(=O)c(-c2nc(-c3cnco3)cn2C)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccco6)cn5)c(=O)n(C5CCCC5)c4n3)cc2)C1.O=c1c(-c2ccc(C3=CCN=C3)cc2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CC1.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C32H32N6O2.C32H32N6O.C30H30N8O2.C28H32N10O2.C25H27N7O/c1-37-15-14-23(20-37)21-8-11-25(12-9-21)35-32-34-19-24-17-27(28-13-10-22(18-33-28)29-7-4-16-40-29)31(39)38(30(24)36-32)26-5-2-3-6-26;39-31-29(25-5-3-23(4-6-25)26-13-16-34-18-26)17-27-19-35-32(37-30(27)38(31)20-21-1-2-21)36-28-9-7-22(8-10-28)24-11-14-33-15-12-24;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-35(2)12-13-38-25-19(14-22(27(38)39)26-33-23(17-36(26)3)24-16-30-18-40-24)15-31-28(34-25)32-20-4-6-21(7-5-20)37-10-8-29-9-11-37;1-2-31-22-18(13-21(24(31)33)23-27-11-12-32(23)20-7-8-20)15-28-25(30-22)29-19-5-3-16(4-6-19)17-9-10-26-14-17/h4,7-13,16-19,23,26H,2-3,5-6,14-15,20H2,1H3,(H,34,35,36);3-10,13,17-19,21,24,33H,1-2,11-12,14-16,20H2,(H,35,36,37);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-7,14-18,29H,8-13H2,1-3H3,(H,31,32,34);3-6,11-13,15,17,20,26H,2,7-10,14H2,1H3,(H,28,29,30)
InChIKeyLBZMPANUFGQTQY-UHFFFAOYSA-N
XLogP22.57
TPSA504.32 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002566.09
LogP ≤ 522.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 123736329
N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(2S)-4-[(2-fluorophenyl)carbamoyl]-2-methylpiperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(3R)-4-[(2-fluorophenyl)carbamoyl]-3-methylpiperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(3R)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 157066680
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone
CID 158194627
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
1-[3-[[1-[6-(Cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[3-methyl-4-(2-methylpyrrol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
CID 158643549
CID 158813224
CID 158813224
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
2-(1,3-benzoxazol-7-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzoxazol-7-yl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(6-cyclopropyloxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158900408
6-(4-Cyclopenta-1,4-dien-1-yl-1-methylimidazol-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(piperidin-3-ylmethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(furan-3-yl)-5-methylimidazol-4-yl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate
CID 159281053
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(3-methoxyprop-1-ynyl)phenyl]-2-methyl-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-(4-pentoxyphenyl)-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159405648

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (CID 159306573) is 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2nccn2C2CC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN(C)CCn1c(=O)c(-c2nc(-c3cnco3)cn2C)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccco6)cn5)c(=O)n(C5CCCC5)c4n3)cc2)C1.O=c1c(-c2ccc(C3=CCN=C3)cc2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CC1.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1.
What is the InChIKey of 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LBZMPANUFGQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2.C32H32N6O.C30H30N8O2.C28H32N10O2.C25H27N7O/c1-37-15-14-23(20-37)21-8-11-25(12-9-21)35-32-34-19-24-17-27(28-13-10-22(18-33-28)29-7-4-16-40-29)31(39)38(30(24)36-32)26-5-2-3-6-26;39-31-29(25-5-3-23(4-6-25)26-13-16-34-18-26)17-27-19-35-32(37-30(27)38(31)20-21-1-2-21)36-28-9-7-22(8-10-28)24-11-14-33-15-12-24;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-35(2)12-13-38-25-19(14-22(27(38)39)26-33-23(17-36(26)3)24-16-30-18-40-24)15-31-28(34-25)32-20-4-6-21(7-5-20)37-10-8-29-9-11-37;1-2-31-22-18(13-21(24(31)33)23-27-11-12-32(23)20-7-8-20)15-28-25(30-22)29-19-5-3-16(4-6-19)17-9-10-26-14-17/h4,7-13,16-19,23,26H,2-3,5-6,14-15,20H2,1H3,(H,34,35,36);3-10,13,17-19,21,24,33H,1-2,11-12,14-16,20H2,(H,35,36,37);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-7,14-18,29H,8-13H2,1-3H3,(H,31,32,34);3-6,11-13,15,17,20,26H,2,7-10,14H2,1H3,(H,28,29,30).
What are the key properties of 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2566.09 g/mol, XLogP of 22.57, 33 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-[5-(furan-2-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylimidazol-2-yl)-8-ethyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-(4-piperidin-4-ylanilino)-6-[4-(2H-pyrrol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159306573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).