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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C98H99Cl3F3N20O7S+ — CID 160666310

About 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 160666310) has the molecular formula C98H99Cl3F3N20O7S+ and a molecular weight of 1864.42 g/mol. Its IUPAC name is 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160666310
• Molecular Formula: C98H99Cl3F3N20O7S+
• Molecular Weight: 1864.42 g/mol
• Exact Mass: 1861.67
• IUPAC Name: 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CC(C)n1c(=O)c(-c2ccc(C3=[N+](C)C=CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CS(=O)(=O)N1CCC(n2c(=O)c(-c3ncc(-c4ccncc4)cc3Cl)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1
• InChI: InChI=1S/C33H34Cl2N6O.C33H33ClN8O4S.C32H31F3N6O2/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-47(44,45)41-14-9-25(10-15-41)42-31-23(16-28(32(42)43)30-29(34)17-22(18-37-30)21-6-11-35-12-7-21)19-38-33(40-31)39-24-2-4-26(5-3-24)46-27-8-13-36-20-27;1-19(2)41-29-22(17-37-31(39-29)38-23-9-6-20(7-10-23)28-18-36-12-14-43-28)15-25(30(41)42)24-11-8-21(16-26(24)32(33,34)35)27-5-4-13-40(27)3/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);2-7,11-12,16-19,25,27,36H,8-10,13-15,20H2,1H3,(H,38,39,40);4,6-11,13,15-17,19,28,36H,5,12,14,18H2,1-3H3/p+1
• InChIKey: UQQUWIVDJNMXCY-UHFFFAOYSA-O
• XLogP: 18.37
• TPSA: 296.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.42
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 160666310) is 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CC(C)n1c(=O)c(-c2ccc(C3=[N+](C)C=CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CS(=O)(=O)N1CCC(n2c(=O)c(-c3ncc(-c4ccncc4)cc3Cl)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1.

What is the InChIKey of 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UQQUWIVDJNMXCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H34Cl2N6O.C33H33ClN8O4S.C32H31F3N6O2/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-47(44,45)41-14-9-25(10-15-41)42-31-23(16-28(32(42)43)30-29(34)17-22(18-37-30)21-6-11-35-12-7-21)19-38-33(40-31)39-24-2-4-26(5-3-24)46-27-8-13-36-20-27;1-19(2)41-29-22(17-37-31(39-29)38-23-9-6-20(7-10-23)28-18-36-12-14-43-28)15-25(30(41)42)24-11-8-21(16-26(24)32(33,34)35)27-5-4-13-40(27)3/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);2-7,11-12,16-19,25,27,36H,8-10,13-15,20H2,1H3,(H,38,39,40);4,6-11,13,15-17,19,28,36H,5,12,14,18H2,1-3H3/p+1.

What are the key properties of 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1864.42 g/mol, XLogP of 18.37, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).