2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C87H87F9N18O12 — CID 159535473

About 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159535473) has the molecular formula C87H87F9N18O12 and a molecular weight of 1747.75 g/mol. Its IUPAC name is 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 159535473
• Molecular Formula: C87H87F9N18O12
• Molecular Weight: 1747.75 g/mol
• Exact Mass: 1746.66
• IUPAC Name: 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O
• InChI: InChI=1S/C30H31F3N6O4.C29H29F3N6O5.C28H27F3N6O3/c1-18(2)38-14-12-20(13-15-38)19-4-6-21(7-5-19)35-29-34-16-24-26(40)25(28(41)37-42-3)17-39(27(24)36-29)22-8-10-23(11-9-22)43-30(31,32)33;1-42-36-27(41)24-17-38(21-6-8-22(9-7-21)43-29(30,31)32)26-23(25(24)40)16-33-28(35-26)34-20-4-2-18(3-5-20)19-10-12-37(13-11-19)14-15-39;1-36-13-11-18(12-14-36)17-3-7-20(8-4-17)33-27-32-15-22-24(38)23(26(39)35-40-2)16-37(25(22)34-27)21-9-5-19(6-10-21)28(29,30)31/h4-11,16-18,20H,12-15H2,1-3H3,(H,37,41)(H,34,35,36);2-9,16-17,19,39H,10-15H2,1H3,(H,36,41)(H,33,34,35);3-10,15-16,18H,11-14H2,1-2H3,(H,35,39)(H,32,33,34)
• InChIKey: MDNJOGZHJWLLBE-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 342.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.75
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 159535473) is 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O.

What is the InChIKey of 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is MDNJOGZHJWLLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O4.C29H29F3N6O5.C28H27F3N6O3/c1-18(2)38-14-12-20(13-15-38)19-4-6-21(7-5-19)35-29-34-16-24-26(40)25(28(41)37-42-3)17-39(27(24)36-29)22-8-10-23(11-9-22)43-30(31,32)33;1-42-36-27(41)24-17-38(21-6-8-22(9-7-21)43-29(30,31)32)26-23(25(24)40)16-33-28(35-26)34-20-4-2-18(3-5-20)19-10-12-37(13-11-19)14-15-39;1-36-13-11-18(12-14-36)17-3-7-20(8-4-17)33-27-32-15-22-24(38)23(26(39)35-40-2)16-37(25(22)34-27)21-9-5-19(6-10-21)28(29,30)31/h4-11,16-18,20H,12-15H2,1-3H3,(H,37,41)(H,34,35,36);2-9,16-17,19,39H,10-15H2,1H3,(H,36,41)(H,33,34,35);3-10,15-16,18H,11-14H2,1-2H3,(H,35,39)(H,32,33,34).

What are the key properties of 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1747.75 g/mol, XLogP of 13.83, 23 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).