N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H25FN4O2 — CID 46075934

IUPACN-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C21H25FN4O2/c22-17-9-5-4-6-14(17)12-19(27)26-11-10-18-16(13-26)20(25-24-18)21(28)23-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,23,28)(H,24,25)
InChIKeyGJBFBLZWWFIREP-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.74
Rot. Bonds4

About N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46075934) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46075934
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C21H25FN4O2/c22-17-9-5-4-6-14(17)12-19(27)26-11-10-18-16(13-26)20(25-24-18)21(28)23-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,23,28)(H,24,25)
InChIKeyGJBFBLZWWFIREP-UHFFFAOYSA-N
XLogP2.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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Facinicline hydrochloride
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CID 23645917
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CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46075934) is N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NC1CCCCC1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2.
What is the InChIKey of N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GJBFBLZWWFIREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-9-5-4-6-14(17)12-19(27)26-11-10-18-16(13-26)20(25-24-18)21(28)23-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,23,28)(H,24,25).
What are the key properties of N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46075934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).