5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H21N5O3 — CID 56718199

IUPAC5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C20H21N5O3/c26-19(16-11-21-13-22-16)24-10-8-17-15(12-24)18(20(27)28)23-25(17)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,21,22)(H,27,28)
InChIKeyBHGSXYNVGUMRTO-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.14
Rot. Bonds6

About 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56718199) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56718199
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C20H21N5O3/c26-19(16-11-21-13-22-16)24-10-8-17-15(12-24)18(20(27)28)23-25(17)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,21,22)(H,27,28)
InChIKeyBHGSXYNVGUMRTO-UHFFFAOYSA-N
XLogP2.14
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56718199) is 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnc[nH]1)CC2.
What is the InChIKey of 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is BHGSXYNVGUMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(16-11-21-13-22-16)24-10-8-17-15(12-24)18(20(27)28)23-25(17)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,21,22)(H,27,28).
What are the key properties of 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56718199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).