6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid

C21H24N6O5 — CID 171322096

IUPAC6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
SMILESCc1noc(C)c1C(=O)N1CCc2c(C(=O)NCCc3ccccn3)n[nH]c2C1.O=CO
InChIInChI=1S/C20H22N6O3.CH2O2/c1-12-17(13(2)29-25-12)20(28)26-10-7-15-16(11-26)23-24-18(15)19(27)22-9-6-14-5-3-4-8-21-14;2-1-3/h3-5,8H,6-7,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3)
InChIKeyXCDNIGDDSLBYAS-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.28
Rot. Bonds5

About 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid

6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid (PubChem CID 171322096) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
PubChem CID171322096
Molecular FormulaC21H24N6O5
Molecular Weight440.46 g/mol
Exact Mass440.18
IUPAC Name6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
SMILESCc1noc(C)c1C(=O)N1CCc2c(C(=O)NCCc3ccccn3)n[nH]c2C1.O=CO
InChIInChI=1S/C20H22N6O3.CH2O2/c1-12-17(13(2)29-25-12)20(28)26-10-7-15-16(11-26)23-24-18(15)19(27)22-9-6-14-5-3-4-8-21-14;2-1-3/h3-5,8H,6-7,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3)
InChIKeyXCDNIGDDSLBYAS-UHFFFAOYSA-N
XLogP1.28
TPSA154.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700787
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618296
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166622118
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166613110
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
N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166615358
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72921446
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
6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618191
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

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid (CID 171322096) is 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid is Cc1noc(C)c1C(=O)N1CCc2c(C(=O)NCCc3ccccn3)n[nH]c2C1.O=CO.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid?
The InChIKey is XCDNIGDDSLBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3.CH2O2/c1-12-17(13(2)29-25-12)20(28)26-10-7-15-16(11-26)23-24-18(15)19(27)22-9-6-14-5-3-4-8-21-14;2-1-3/h3-5,8H,6-7,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid?
6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid has a molecular weight of 440.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 171322096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).