N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C25H23F3N6O4 — CID 11849020

About N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11849020) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• PubChem CID: 11849020
• Molecular Formula: C25H23F3N6O4
• Molecular Weight: 528.49 g/mol
• Exact Mass: 528.17
• IUPAC Name: N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• SMILES: O=C(Nc1cc(-c2ccc(O)cc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C25H23F3N6O4/c26-25(27,28)14-33-13-16(15-3-5-18(35)6-4-15)12-19(22(33)36)30-23(37)32-10-7-17(8-11-32)34-20-2-1-9-29-21(20)31-24(34)38/h1-6,9,12-13,17,35H,7-8,10-11,14H2,(H,30,37)(H,29,31,38)
• InChIKey: HVKODJSGQZTNDF-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 125.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11849020) is N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2ccc(O)cc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The InChIKey is HVKODJSGQZTNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c26-25(27,28)14-33-13-16(15-3-5-18(35)6-4-15)12-19(22(33)36)30-23(37)32-10-7-17(8-11-32)34-20-2-1-9-29-21(20)31-24(34)38/h1-6,9,12-13,17,35H,7-8,10-11,14H2,(H,30,37)(H,29,31,38).

What are the key properties of N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 528.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11849020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).