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

C23H21F3N6O3S — CID 11848968

IUPAC4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35)
InChIKeyFFKPPUNDGBQEFD-UHFFFAOYSA-N
MW518.52 g/mol
LogP4.05
Rot. Bonds4

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

4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 11848968) has the molecular formula C23H21F3N6O3S and a molecular weight of 518.52 g/mol. Its IUPAC name is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID11848968
Molecular FormulaC23H21F3N6O3S
Molecular Weight518.52 g/mol
Exact Mass518.13
IUPAC Name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35)
InChIKeyFFKPPUNDGBQEFD-UHFFFAOYSA-N
XLogP4.05
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-Fluoro-2-oxo-4-(2-(4-(thieno(3,2-c)pyridin-4-yl)piperazin-1-yl)ethyl)-1,2-dihydroquinoline-1-acetamide
CID 9869105
N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848750
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11848964
N-[5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848965
N-[5-(3-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848966
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11849023
N-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11849025
N-[1-(2-methoxyethyl)-2-oxo-5-thiophen-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 44454954
US10617676, Example 326
CID 134489940
US10617676, Example 80
CID 134489983
US10617676, Example 93
CID 134489992

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide (CID 11848968) is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide is O=C(Nc1cc(-c2ccsc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is FFKPPUNDGBQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35).
What are the key properties of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 518.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 11848968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).