formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C22H23N7O5 — CID 171709657

IUPACformic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(CC(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)on1.O=CO
InChIInChI=1S/C21H21N7O3.CH2O2/c1-13-8-15(31-26-13)9-19(29)27-7-5-16-17(12-27)24-25-20(16)21(30)23-11-14-10-22-18-4-2-3-6-28(14)18;2-1-3/h2-4,6,8,10H,5,7,9,11-12H2,1H3,(H,23,30)(H,24,25);1H,(H,2,3)
InChIKeyDQEJYBKJQXNXKF-UHFFFAOYSA-N
MW465.47 g/mol
LogP1.11
Rot. Bonds5

About formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171709657) has the molecular formula C22H23N7O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171709657
Molecular FormulaC22H23N7O5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Nameformic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(CC(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)on1.O=CO
InChIInChI=1S/C21H21N7O3.CH2O2/c1-13-8-15(31-26-13)9-19(29)27-7-5-16-17(12-27)24-25-20(16)21(30)23-11-14-10-22-18-4-2-3-6-28(14)18;2-1-3/h2-4,6,8,10H,5,7,9,11-12H2,1H3,(H,23,30)(H,24,25);1H,(H,2,3)
InChIKeyDQEJYBKJQXNXKF-UHFFFAOYSA-N
XLogP1.11
TPSA158.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621788
formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171322695
2-(3-methyl-1,2-oxazol-5-yl)-1-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134713194
N-[2-(3-fluorophenyl)ethyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322122
N-[(2-chlorophenyl)methyl]-6-(2-ethoxyacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619239
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076271
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166624470
N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876342
formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171710463
formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171325141
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71705183

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171709657) is formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(CC(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)on1.O=CO.
What is the InChIKey of formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is DQEJYBKJQXNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3.CH2O2/c1-13-8-15(31-26-13)9-19(29)27-7-5-16-17(12-27)24-25-20(16)21(30)23-11-14-10-22-18-4-2-3-6-28(14)18;2-1-3/h2-4,6,8,10H,5,7,9,11-12H2,1H3,(H,23,30)(H,24,25);1H,(H,2,3).
What are the key properties of formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171709657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).