5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H21FN4O2 — CID 46076280

IUPAC5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C18H21FN4O2/c1-11(2)9-20-17(24)16-13-10-23(8-7-15(13)21-22-16)18(25)12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPXZZDLDRQBGWTM-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.13
Rot. Bonds4

About 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46076280) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46076280
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C18H21FN4O2/c1-11(2)9-20-17(24)16-13-10-23(8-7-15(13)21-22-16)18(25)12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPXZZDLDRQBGWTM-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46076280) is 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PXZZDLDRQBGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)9-20-17(24)16-13-10-23(8-7-15(13)21-22-16)18(25)12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46076280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).