6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C111H129Cl3F4N24O8 — CID 161306719

About 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161306719) has the molecular formula C111H129Cl3F4N24O8 and a molecular weight of 2109.76 g/mol. Its IUPAC name is 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161306719
• Molecular Formula: C111H129Cl3F4N24O8
• Molecular Weight: 2109.76 g/mol
• Exact Mass: 2106.94
• IUPAC Name: 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(C)N1CCC(c2cnc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(F)c5)nc4n(CC4CCOCC4)c3=O)c(Cl)c2)C1.CC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1
• InChI: InChI=1S/C38H46Cl2N8O3.C38H43F3N8O3.C35H40ClFN8O2/c1-25(49)47-12-9-26(10-13-47)27-21-33(39)35(34(40)22-27)32-20-28-23-41-38(44-36(28)48(37(32)50)15-14-46-16-18-51-19-17-46)43-30-7-5-29(6-8-30)42-31-4-3-11-45(2)24-31;1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-22(2)44-10-5-24(21-44)25-16-29(36)32(39-18-25)28-15-26-19-40-35(42-33(26)45(34(28)46)20-23-6-13-47-14-7-23)41-27-3-4-31(30(37)17-27)43-11-8-38-9-12-43/h5-8,20-23,26,31,42H,3-4,9-19,24H2,1-2H3,(H,41,43,44);7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);3-4,15-19,23-24,38H,1,5-14,20-21H2,2H3,(H,40,41,42)
• InChIKey: VIIPQXKJXLLLMS-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 324.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.76
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 161306719) is 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCC(c2cnc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(F)c5)nc4n(CC4CCOCC4)c3=O)c(Cl)c2)C1.CC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.

What is the InChIKey of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VIIPQXKJXLLLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46Cl2N8O3.C38H43F3N8O3.C35H40ClFN8O2/c1-25(49)47-12-9-26(10-13-47)27-21-33(39)35(34(40)22-27)32-20-28-23-41-38(44-36(28)48(37(32)50)15-14-46-16-18-51-19-17-46)43-30-7-5-29(6-8-30)42-31-4-3-11-45(2)24-31;1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-22(2)44-10-5-24(21-44)25-16-29(36)32(39-18-25)28-15-26-19-40-35(42-33(26)45(34(28)46)20-23-6-13-47-14-7-23)41-27-3-4-31(30(37)17-27)43-11-8-38-9-12-43/h5-8,20-23,26,31,42H,3-4,9-19,24H2,1-2H3,(H,41,43,44);7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);3-4,15-19,23-24,38H,1,5-14,20-21H2,2H3,(H,40,41,42).

What are the key properties of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2109.76 g/mol, XLogP of 17.34, 25 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161306719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).