formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H24N8O4 — CID 171710463

IUPACformic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)Cn1cccn1)C2.O=CO
InChIInChI=1S/C18H22N8O2.CH2O2/c27-16(12-26-8-2-5-21-26)25-9-3-14-15(11-25)22-23-17(14)18(28)20-4-1-7-24-10-6-19-13-24;2-1-3/h2,5-6,8,10,13H,1,3-4,7,9,11-12H2,(H,20,28)(H,22,23);1H,(H,2,3)
InChIKeyLHQGCLOLINIPKZ-UHFFFAOYSA-N
MW428.45 g/mol
LogP-0.09
Rot. Bonds7

About formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171710463) has the molecular formula C19H24N8O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171710463
Molecular FormulaC19H24N8O4
Molecular Weight428.45 g/mol
Exact Mass428.19
IUPAC Nameformic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)Cn1cccn1)C2.O=CO
InChIInChI=1S/C18H22N8O2.CH2O2/c27-16(12-26-8-2-5-21-26)25-9-3-14-15(11-25)22-23-17(14)18(28)20-4-1-7-24-10-6-19-13-24;2-1-3/h2,5-6,8,10,13H,1,3-4,7,9,11-12H2,(H,20,28)(H,22,23);1H,(H,2,3)
InChIKeyLHQGCLOLINIPKZ-UHFFFAOYSA-N
XLogP-0.09
TPSA151.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621792
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
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
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
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-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-butyl-5-(1-methylpyrrole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874526
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 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) is formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1n[nH]c2c1CCN(C(=O)Cn1cccn1)C2.O=CO.
What is the InChIKey of formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LHQGCLOLINIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2.CH2O2/c27-16(12-26-8-2-5-21-26)25-9-3-14-15(11-25)22-23-17(14)18(28)20-4-1-7-24-10-6-19-13-24;2-1-3/h2,5-6,8,10,13H,1,3-4,7,9,11-12H2,(H,20,28)(H,22,23);1H,(H,2,3).
What are the key properties of formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171710463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).