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

C25H23F3N6O3 — CID 11848964

IUPAC4-(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
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C25H23F3N6O3/c26-25(27,28)15-33-14-17(16-5-2-1-3-6-16)13-19(22(33)35)30-23(36)32-11-8-18(9-12-32)34-20-7-4-10-29-21(20)31-24(34)37/h1-7,10,13-14,18H,8-9,11-12,15H2,(H,30,36)(H,29,31,37)
InChIKeyPAVNCDNTAVTPEH-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.98
Rot. Bonds4

About 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

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 (PubChem CID 11848964) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID11848964
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name4-(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
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C25H23F3N6O3/c26-25(27,28)15-33-14-17(16-5-2-1-3-6-16)13-19(22(33)35)30-23(36)32-11-8-18(9-12-32)34-20-7-4-10-29-21(20)31-24(34)37/h1-7,10,13-14,18H,8-9,11-12,15H2,(H,30,36)(H,29,31,37)
InChIKeyPAVNCDNTAVTPEH-UHFFFAOYSA-N
XLogP3.98
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(-c2ccccc2)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-phenyl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is PAVNCDNTAVTPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c26-25(27,28)15-33-14-17(16-5-2-1-3-6-16)13-19(22(33)35)30-23(36)32-11-8-18(9-12-32)34-20-7-4-10-29-21(20)31-24(34)37/h1-7,10,13-14,18H,8-9,11-12,15H2,(H,30,36)(H,29,31,37).
What are the key properties of 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?
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 has a molecular weight of 512.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-phenyl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 11848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).