6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C249H269FN56O20S2 — CID 158216013

IUPAC6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cccn2C2CCOCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccoc2S(=O)(=O)N2CCOCC2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C(C)C)c1=O.CCn1cncc1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc21.CN1CCC(C#Cc2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(Cc3c(F)cccc3-c3nccs3)c2=O)CC1.COCCc1ncoc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.Cn1nccc1Cn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc21.O=c1c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1ncoc1-n1cccn1
InChIInChI=1S/C36H37FN8OS.C32H32N8O3.C32H34N6O4.C30H33N7O5S.C30H33N7O2.C30H35N7O.C30H34N6O3.C29H31N7O/c1-42-15-12-25(13-16-42)6-7-26-22-27-23-39-36(40-28-8-10-29(11-9-28)44-19-17-43(2)18-20-44)41-33(27)45(35(26)46)24-31-30(4-3-5-32(31)37)34-38-14-21-47-34;41-30-23(9-8-22-5-1-2-6-22)17-24-18-34-32(37-25-10-12-26(13-11-25)43-27-7-3-14-33-19-27)38-29(24)39(30)20-28-31(42-21-35-28)40-16-4-15-36-40;1-37-14-16-41-28(19-37)23-9-11-26(12-10-23)35-32-33-18-25-17-24(8-7-22-5-3-4-6-22)31(39)38(30(25)36-32)20-29-27(13-15-40-2)34-21-42-29;1-3-4-22-18-24-19-32-30(33-25-5-6-26(21(2)17-25)35-10-8-31-9-11-35)34-27(24)37(28(22)38)20-23-7-14-42-29(23)43(39,40)36-12-15-41-16-13-36;1-3-22-19-23-20-31-30(32-24-6-8-25(9-7-24)35-15-13-34(2)14-16-35)33-28(23)37(29(22)38)21-27-5-4-12-36(27)26-10-17-39-18-11-26;1-4-36-20-32-18-27(36)19-37-28-25(16-24(29(37)38)8-5-21(2)3)17-33-30(35-28)34-26-9-6-22(7-10-26)15-23-11-13-31-14-12-23;1-5-38-13-11-23-15-24-16-31-30(33-26-8-6-21(7-9-26)14-22-10-12-35(4)18-22)34-28(24)36(29(23)37)19-25-17-32-39-27(25)20(2)3;1-35-26(12-14-32-35)19-36-27-24(16-23(28(36)37)9-6-20-4-5-20)18-31-29(34-27)33-25-10-7-21(8-11-25)15-22-3-2-13-30-17-22/h3-5,8-11,14,21-23,25H,12-13,15-20,24H2,1-2H3,(H,39,40,41);4,10-13,15-18,21-22,27,33H,1-3,5-7,14,19-20H2,(H,34,37,38);5,9-12,17-18,21,28H,3-4,6,13-16,19-20H2,1-2H3,(H,33,35,36);5-7,14,17-19,31H,8-13,15-16,20H2,1-2H3,(H,32,33,34);1,4-9,12,19-20,26H,10-11,13-18,21H2,2H3,(H,31,32,33);6-7,9-10,16-18,20-21,23,31H,4,11-15,19H2,1-3H3,(H,33,34,35);6-9,15-17,20,22H,5,10,12,14,18-19H2,1-4H3,(H,31,33,34);7-8,10-12,14,16,18,20,22,30H,2-5,13,15,17,19H2,1H3,(H,31,33,34)
InChIKeyGCQPXKLORARQPT-UHFFFAOYSA-N
MW4449.39 g/mol
LogP32.21
Rot. Bonds55

About 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158216013) has the molecular formula C249H269FN56O20S2 and a molecular weight of 4449.39 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID158216013
Molecular FormulaC249H269FN56O20S2
Molecular Weight4449.39 g/mol
Exact Mass4446.12
IUPAC Name6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cccn2C2CCOCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccoc2S(=O)(=O)N2CCOCC2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C(C)C)c1=O.CCn1cncc1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc21.CN1CCC(C#Cc2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(Cc3c(F)cccc3-c3nccs3)c2=O)CC1.COCCc1ncoc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.Cn1nccc1Cn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc21.O=c1c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1ncoc1-n1cccn1
InChIInChI=1S/C36H37FN8OS.C32H32N8O3.C32H34N6O4.C30H33N7O5S.C30H33N7O2.C30H35N7O.C30H34N6O3.C29H31N7O/c1-42-15-12-25(13-16-42)6-7-26-22-27-23-39-36(40-28-8-10-29(11-9-28)44-19-17-43(2)18-20-44)41-33(27)45(35(26)46)24-31-30(4-3-5-32(31)37)34-38-14-21-47-34;41-30-23(9-8-22-5-1-2-6-22)17-24-18-34-32(37-25-10-12-26(13-11-25)43-27-7-3-14-33-19-27)38-29(24)39(30)20-28-31(42-21-35-28)40-16-4-15-36-40;1-37-14-16-41-28(19-37)23-9-11-26(12-10-23)35-32-33-18-25-17-24(8-7-22-5-3-4-6-22)31(39)38(30(25)36-32)20-29-27(13-15-40-2)34-21-42-29;1-3-4-22-18-24-19-32-30(33-25-5-6-26(21(2)17-25)35-10-8-31-9-11-35)34-27(24)37(28(22)38)20-23-7-14-42-29(23)43(39,40)36-12-15-41-16-13-36;1-3-22-19-23-20-31-30(32-24-6-8-25(9-7-24)35-15-13-34(2)14-16-35)33-28(23)37(29(22)38)21-27-5-4-12-36(27)26-10-17-39-18-11-26;1-4-36-20-32-18-27(36)19-37-28-25(16-24(29(37)38)8-5-21(2)3)17-33-30(35-28)34-26-9-6-22(7-10-26)15-23-11-13-31-14-12-23;1-5-38-13-11-23-15-24-16-31-30(33-26-8-6-21(7-9-26)14-22-10-12-35(4)18-22)34-28(24)36(29(23)37)19-25-17-32-39-27(25)20(2)3;1-35-26(12-14-32-35)19-36-27-24(16-23(28(36)37)9-6-20-4-5-20)18-31-29(34-27)33-25-10-7-21(8-11-25)15-22-3-2-13-30-17-22/h3-5,8-11,14,21-23,25H,12-13,15-20,24H2,1-2H3,(H,39,40,41);4,10-13,15-18,21-22,27,33H,1-3,5-7,14,19-20H2,(H,34,37,38);5,9-12,17-18,21,28H,3-4,6,13-16,19-20H2,1-2H3,(H,33,35,36);5-7,14,17-19,31H,8-13,15-16,20H2,1-2H3,(H,32,33,34);1,4-9,12,19-20,26H,10-11,13-18,21H2,2H3,(H,31,32,33);6-7,9-10,16-18,20-21,23,31H,4,11-15,19H2,1-3H3,(H,33,34,35);6-9,15-17,20,22H,5,10,12,14,18-19H2,1-4H3,(H,31,33,34);7-8,10-12,14,16,18,20,22,30H,2-5,13,15,17,19H2,1H3,(H,31,33,34)
InChIKeyGCQPXKLORARQPT-UHFFFAOYSA-N
XLogP32.21
TPSA807.79 Ų
H-Bond Donors12
H-Bond Acceptors76
Rotatable Bonds55
Heavy Atoms328
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004449.39
LogP ≤ 532.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1076

Analyze 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one with MolForge

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What is the IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 158216013) is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cccn2C2CCOCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccoc2S(=O)(=O)N2CCOCC2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C(C)C)c1=O.CCn1cncc1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc21.CN1CCC(C#Cc2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(Cc3c(F)cccc3-c3nccs3)c2=O)CC1.COCCc1ncoc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.Cn1nccc1Cn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc21.O=c1c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1ncoc1-n1cccn1.
What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GCQPXKLORARQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37FN8OS.C32H32N8O3.C32H34N6O4.C30H33N7O5S.C30H33N7O2.C30H35N7O.C30H34N6O3.C29H31N7O/c1-42-15-12-25(13-16-42)6-7-26-22-27-23-39-36(40-28-8-10-29(11-9-28)44-19-17-43(2)18-20-44)41-33(27)45(35(26)46)24-31-30(4-3-5-32(31)37)34-38-14-21-47-34;41-30-23(9-8-22-5-1-2-6-22)17-24-18-34-32(37-25-10-12-26(13-11-25)43-27-7-3-14-33-19-27)38-29(24)39(30)20-28-31(42-21-35-28)40-16-4-15-36-40;1-37-14-16-41-28(19-37)23-9-11-26(12-10-23)35-32-33-18-25-17-24(8-7-22-5-3-4-6-22)31(39)38(30(25)36-32)20-29-27(13-15-40-2)34-21-42-29;1-3-4-22-18-24-19-32-30(33-25-5-6-26(21(2)17-25)35-10-8-31-9-11-35)34-27(24)37(28(22)38)20-23-7-14-42-29(23)43(39,40)36-12-15-41-16-13-36;1-3-22-19-23-20-31-30(32-24-6-8-25(9-7-24)35-15-13-34(2)14-16-35)33-28(23)37(29(22)38)21-27-5-4-12-36(27)26-10-17-39-18-11-26;1-4-36-20-32-18-27(36)19-37-28-25(16-24(29(37)38)8-5-21(2)3)17-33-30(35-28)34-26-9-6-22(7-10-26)15-23-11-13-31-14-12-23;1-5-38-13-11-23-15-24-16-31-30(33-26-8-6-21(7-9-26)14-22-10-12-35(4)18-22)34-28(24)36(29(23)37)19-25-17-32-39-27(25)20(2)3;1-35-26(12-14-32-35)19-36-27-24(16-23(28(36)37)9-6-20-4-5-20)18-31-29(34-27)33-25-10-7-21(8-11-25)15-22-3-2-13-30-17-22/h3-5,8-11,14,21-23,25H,12-13,15-20,24H2,1-2H3,(H,39,40,41);4,10-13,15-18,21-22,27,33H,1-3,5-7,14,19-20H2,(H,34,37,38);5,9-12,17-18,21,28H,3-4,6,13-16,19-20H2,1-2H3,(H,33,35,36);5-7,14,17-19,31H,8-13,15-16,20H2,1-2H3,(H,32,33,34);1,4-9,12,19-20,26H,10-11,13-18,21H2,2H3,(H,31,32,33);6-7,9-10,16-18,20-21,23,31H,4,11-15,19H2,1-3H3,(H,33,34,35);6-9,15-17,20,22H,5,10,12,14,18-19H2,1-4H3,(H,31,33,34);7-8,10-12,14,16,18,20,22,30H,2-5,13,15,17,19H2,1H3,(H,31,33,34).
What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 4449.39 g/mol, XLogP of 32.21, 55 rotatable bonds, 12 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-methylpyrazol-3-yl)methyl]-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(1,3-thiazol-2-yl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158216013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).