5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H21N5O3 — CID 56722650

IUPAC5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1cnc3ccccc31)C2
InChIInChI=1S/C19H21N5O3/c1-2-24-15-7-9-22(11-13(15)18(21-24)19(26)27)17(25)8-10-23-12-20-14-5-3-4-6-16(14)23/h3-6,12H,2,7-11H2,1H3,(H,26,27)
InChIKeyXEWTVEAMVFRJQG-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.93
Rot. Bonds5

About 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56722650) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56722650
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1cnc3ccccc31)C2
InChIInChI=1S/C19H21N5O3/c1-2-24-15-7-9-22(11-13(15)18(21-24)19(26)27)17(25)8-10-23-12-20-14-5-3-4-6-16(14)23/h3-6,12H,2,7-11H2,1H3,(H,26,27)
InChIKeyXEWTVEAMVFRJQG-UHFFFAOYSA-N
XLogP1.93
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-Methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]benzimidazole-4-carboxylic acid
CID 164866578
2-[3,5-Dimethyl-1-[[4-(1-methylbenzimidazol-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 122197984
2-[3,5-Diethyl-1-[[4-(1-methylbenzimidazol-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 122197997
1-(1H-benzimidazol-1-ylmethyl)-1H-pyrazole-3-carboxylic acid
CID 3236888
5-(1H-imidazol-5-ylcarbonyl)-1-(3-phenylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718199
6-[[1-[1-(Methoxymethyl)pyrazol-4-yl]-7-oxo-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
CID 178297524
6-[[6-Benzyl-7-oxo-1-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
CID 178312135
2-(5-{[2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]carbonyl}-1H-benzimidazol-1-yl)ethanol
CID 91761462
5-[3-(1H-imidazol-1-yl)propanoyl]-1-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56708549
[1-ethyl-5-(imidazo[1,2-a]pyridin-6-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 70708320
4-fluoro-3-(7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamido)benzoic acid
CID 71282909
4-Fluoro-3-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamido)benzoic Acid
CID 71283092

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56722650) is 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1cnc3ccccc31)C2.
What is the InChIKey of 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is XEWTVEAMVFRJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-24-15-7-9-22(11-13(15)18(21-24)19(26)27)17(25)8-10-23-12-20-14-5-3-4-6-16(14)23/h3-6,12H,2,7-11H2,1H3,(H,26,27).
What are the key properties of 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(benzimidazol-1-yl)propanoyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56722650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).