6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C123H121F3N32O8S4 — CID 159361461

About 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159361461) has the molecular formula C123H121F3N32O8S4 and a molecular weight of 2360.80 g/mol. Its IUPAC name is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159361461
• Molecular Formula: C123H121F3N32O8S4
• Molecular Weight: 2360.80 g/mol
• Exact Mass: 2358.89
• IUPAC Name: 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1C=C(c2nnnn2C)N=C1c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3nccs3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O
• InChI: InChI=1S/C34H36N6O3S.C32H29N7O2S2.C30H28N8O2S.C27H28F3N11O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-20-15-21(30-35-12-14-43-30)4-9-26(20)27-16-22-17-36-32(38-29(22)39(31(27)40)19-28-34-11-13-42-28)37-23-5-7-24(8-6-23)41-25-3-2-10-33-18-25;1-19-26(33-18-37(19)23-5-3-4-6-23)24-15-21-16-32-29(35-27(21)38(28(24)39)30-31-11-14-41-30)34-22-9-7-20(8-10-22)25-17-36(2)12-13-40-25;1-15-10-21(24-36-37-38-40(24)3)34-22(15)20-11-16-12-31-26(35-23(16)41(25(20)42)14-27(28,29)30)33-18-6-4-17(5-7-18)32-19-8-9-39(2)13-19/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);4-9,11-17,25,33H,2-3,10,18-19H2,1H3,(H,36,37,38);3,5-11,14-16,18,25H,4,12-13,17H2,1-2H3,(H,32,34,35);4-7,10-12,15,19,32H,8-9,13-14H2,1-3H3,(H,31,33,35)
• InChIKey: LIPCOYGGBWQBDF-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 444.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.80
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159361461) is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is CC1C=C(c2nnnn2C)N=C1c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3nccs3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O.

What is the InChIKey of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LIPCOYGGBWQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3S.C32H29N7O2S2.C30H28N8O2S.C27H28F3N11O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-20-15-21(30-35-12-14-43-30)4-9-26(20)27-16-22-17-36-32(38-29(22)39(31(27)40)19-28-34-11-13-42-28)37-23-5-7-24(8-6-23)41-25-3-2-10-33-18-25;1-19-26(33-18-37(19)23-5-3-4-6-23)24-15-21-16-32-29(35-27(21)38(28(24)39)30-31-11-14-41-30)34-22-9-7-20(8-10-22)25-17-36(2)12-13-40-25;1-15-10-21(24-36-37-38-40(24)3)34-22(15)20-11-16-12-31-26(35-23(16)41(25(20)42)14-27(28,29)30)33-18-6-4-17(5-7-18)32-19-8-9-39(2)13-19/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);4-9,11-17,25,33H,2-3,10,18-19H2,1H3,(H,36,37,38);3,5-11,14-16,18,25H,4,12-13,17H2,1-2H3,(H,32,34,35);4-7,10-12,15,19,32H,8-9,13-14H2,1-3H3,(H,31,33,35).

What are the key properties of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2360.80 g/mol, XLogP of 20.63, 29 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159361461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).