N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C17H19N7O3 — CID 166621792

IUPACN-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)c1cocn1)C2
InChIInChI=1S/C17H19N7O3/c25-16(19-3-1-5-23-7-4-18-10-23)15-12-2-6-24(8-13(12)21-22-15)17(26)14-9-27-11-20-14/h4,7,9-11H,1-3,5-6,8H2,(H,19,25)(H,21,22)
InChIKeyWFAPKEUQDJJHBE-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.61
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166621792) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166621792
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)c1cocn1)C2
InChIInChI=1S/C17H19N7O3/c25-16(19-3-1-5-23-7-4-18-10-23)15-12-2-6-24(8-13(12)21-22-15)17(26)14-9-27-11-20-14/h4,7,9-11H,1-3,5-6,8H2,(H,19,25)(H,21,22)
InChIKeyWFAPKEUQDJJHBE-UHFFFAOYSA-N
XLogP0.61
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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;[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-3-yl)methanone
CID 171707050
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166622118
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
CID 30865659
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166621792) is N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)c1cocn1)C2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WFAPKEUQDJJHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c25-16(19-3-1-5-23-7-4-18-10-23)15-12-2-6-24(8-13(12)21-22-15)17(26)14-9-27-11-20-14/h4,7,9-11H,1-3,5-6,8H2,(H,19,25)(H,21,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166621792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).