6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

C124H121ClF3N35O5S2 — CID 160657900

About 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160657900) has the molecular formula C124H121ClF3N35O5S2 and a molecular weight of 2338.15 g/mol. Its IUPAC name is 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160657900
• Molecular Formula: C124H121ClF3N35O5S2
• Molecular Weight: 2338.15 g/mol
• Exact Mass: 2335.94
• IUPAC Name: 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(Cl)cc2-c2cccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccccc4-c4nnn(C)n4)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.CN(c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(Cc4nccs4)c3n2)cc1)C1CCCNC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6nncn6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1
• InChI: InChI=1S/C33H32N10O.C31H31ClN6O2.C30H30F3N9O.C30H28N10OS2/c1-41(25-16-18-34-19-17-25)24-14-12-23(13-15-24)36-33-35-21-22-20-29(27-10-6-7-11-28(27)30-38-40-42(2)39-30)32(44)43(31(22)37-33)26-8-4-3-5-9-26;1-4-38-29-21(16-26(30(38)39)24-12-9-22(32)17-25(24)27-6-5-13-37(27)3)18-33-31(35-29)34-23-10-7-20(8-11-23)28-19-36(2)14-15-40-28;1-40-13-3-4-24(16-40)36-22-9-11-23(12-10-22)37-29-34-15-21-14-25(28(43)42(26(21)38-29)17-30(31,32)33)19-5-7-20(8-6-19)27-39-35-18-41(27)2;1-39(23-3-2-8-31-17-23)22-6-4-21(5-7-22)37-30-36-14-19-13-24(20-15-34-26(35-16-20)28-33-10-12-43-28)29(41)40(27(19)38-30)18-25-32-9-11-42-25/h3-15,20-21,25,34H,16-19H2,1-2H3,(H,35,36,37);5-13,16-18,28H,4,14-15,19H2,1-3H3,(H,33,34,35);5-12,14-15,18,24,36H,3-4,13,16-17H2,1-2H3,(H,34,37,38);4-7,9-16,23,31H,2-3,8,17-18H2,1H3,(H,36,37,38)
• InChIKey: RLHDVWPIDPLCFM-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 428.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.15
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (CID 160657900) is 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(Cl)cc2-c2cccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccccc4-c4nnn(C)n4)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.CN(c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(Cc4nccs4)c3n2)cc1)C1CCCNC1.CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6nncn6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.

What is the InChIKey of 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RLHDVWPIDPLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N10O.C31H31ClN6O2.C30H30F3N9O.C30H28N10OS2/c1-41(25-16-18-34-19-17-25)24-14-12-23(13-15-24)36-33-35-21-22-20-29(27-10-6-7-11-28(27)30-38-40-42(2)39-30)32(44)43(31(22)37-33)26-8-4-3-5-9-26;1-4-38-29-21(16-26(30(38)39)24-12-9-22(32)17-25(24)27-6-5-13-37(27)3)18-33-31(35-29)34-23-10-7-20(8-11-23)28-19-36(2)14-15-40-28;1-40-13-3-4-24(16-40)36-22-9-11-23(12-10-22)37-29-34-15-21-14-25(28(43)42(26(21)38-29)17-30(31,32)33)19-5-7-20(8-6-19)27-39-35-18-41(27)2;1-39(23-3-2-8-31-17-23)22-6-4-21(5-7-22)37-30-36-14-19-13-24(20-15-34-26(35-16-20)28-33-10-12-43-28)29(41)40(27(19)38-30)18-25-32-9-11-42-25/h3-15,20-21,25,34H,16-19H2,1-2H3,(H,35,36,37);5-13,16-18,28H,4,14-15,19H2,1-3H3,(H,33,34,35);5-12,14-15,18,24,36H,3-4,13,16-17H2,1-2H3,(H,34,37,38);4-7,9-16,23,31H,2-3,8,17-18H2,1H3,(H,36,37,38).

What are the key properties of 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2338.15 g/mol, XLogP of 20.33, 28 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-chloro-2-(1-methylpyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160657900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).