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

C88H89F9N18O10 — CID 157055368

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

2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 157055368) has the molecular formula C88H89F9N18O10 and a molecular weight of 1729.78 g/mol. Its IUPAC name is 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 157055368
• Molecular Formula: C88H89F9N18O10
• Molecular Weight: 1729.78 g/mol
• Exact Mass: 1728.69
• IUPAC Name: 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc(C(F)(F)F)cc5)c4n3)cc2)CC1.CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O
• InChI: InChI=1S/C30H31F3N6O3.C29H29F3N6O4.C29H29F3N6O3/c1-18(2)38-14-12-20(13-15-38)19-4-8-22(9-5-19)35-29-34-16-24-26(40)25(28(41)37-42-3)17-39(27(24)36-29)23-10-6-21(7-11-23)30(31,32)33;1-42-36-27(41)24-17-38(22-8-4-20(5-9-22)29(30,31)32)26-23(25(24)40)16-33-28(35-26)34-21-6-2-18(3-7-21)19-10-12-37(13-11-19)14-15-39;1-3-37-14-12-19(13-15-37)18-4-8-21(9-5-18)34-28-33-16-23-25(39)24(27(40)36-41-2)17-38(26(23)35-28)22-10-6-20(7-11-22)29(30,31)32/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);4-11,16-17,19H,3,12-15H2,1-2H3,(H,36,40)(H,33,34,35)
• InChIKey: AARQRDADYOAAFW-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 324.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1729.78
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

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

The IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 157055368) is 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc(C(F)(F)F)cc5)c4n3)cc2)CC1.CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O.

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

The InChIKey is AARQRDADYOAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O3.C29H29F3N6O4.C29H29F3N6O3/c1-18(2)38-14-12-20(13-15-38)19-4-8-22(9-5-19)35-29-34-16-24-26(40)25(28(41)37-42-3)17-39(27(24)36-29)23-10-6-21(7-11-23)30(31,32)33;1-42-36-27(41)24-17-38(22-8-4-20(5-9-22)29(30,31)32)26-23(25(24)40)16-33-28(35-26)34-21-6-2-18(3-7-21)19-10-12-37(13-11-19)14-15-39;1-3-37-14-12-19(13-15-37)18-4-8-21(9-5-18)34-28-33-16-23-25(39)24(27(40)36-41-2)17-38(26(23)35-28)22-10-6-20(7-11-22)29(30,31)32/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);4-11,16-17,19H,3,12-15H2,1-2H3,(H,36,40)(H,33,34,35).

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

2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1729.78 g/mol, XLogP of 14.46, 22 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-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-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157055368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).