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

C22H21F3N8O3 — CID 11849024

IUPAC4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccn[nH]2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C22H21F3N8O3/c23-22(24,25)12-32-11-13(15-3-7-27-30-15)10-16(19(32)34)28-20(35)31-8-4-14(5-9-31)33-17-2-1-6-26-18(17)29-21(33)36/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,27,30)(H,28,35)(H,26,29,36)
InChIKeySVZKFTJMAREGOJ-UHFFFAOYSA-N
MW502.46 g/mol
LogP2.71
Rot. Bonds4

About 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 11849024) has the molecular formula C22H21F3N8O3 and a molecular weight of 502.46 g/mol. Its IUPAC name is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID11849024
Molecular FormulaC22H21F3N8O3
Molecular Weight502.46 g/mol
Exact Mass502.17
IUPAC Name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccn[nH]2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C22H21F3N8O3/c23-22(24,25)12-32-11-13(15-3-7-27-30-15)10-16(19(32)34)28-20(35)31-8-4-14(5-9-31)33-17-2-1-6-26-18(17)29-21(33)36/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,27,30)(H,28,35)(H,26,29,36)
InChIKeySVZKFTJMAREGOJ-UHFFFAOYSA-N
XLogP2.71
TPSA133.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide (CID 11849024) is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide is O=C(Nc1cc(-c2ccn[nH]2)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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is SVZKFTJMAREGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O3/c23-22(24,25)12-32-11-13(15-3-7-27-30-15)10-16(19(32)34)28-20(35)31-8-4-14(5-9-31)33-17-2-1-6-26-18(17)29-21(33)36/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,27,30)(H,28,35)(H,26,29,36).
What are the key properties of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 502.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 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-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 11849024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).