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

C19H23FN4O2 — CID 46075917

IUPAC5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C19H23FN4O2/c1-12(2)10-21-19(26)18-14-11-24(8-7-16(14)22-23-18)17(25)9-13-5-3-4-6-15(13)20/h3-6,12H,7-11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyPSQSAOYYHMRDGG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.06
Rot. Bonds5

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

5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46075917) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46075917
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C19H23FN4O2/c1-12(2)10-21-19(26)18-14-11-24(8-7-16(14)22-23-18)17(25)9-13-5-3-4-6-15(13)20/h3-6,12H,7-11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyPSQSAOYYHMRDGG-UHFFFAOYSA-N
XLogP2.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46075917) is 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)CNC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2.
What is the InChIKey of 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PSQSAOYYHMRDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(2)10-21-19(26)18-14-11-24(8-7-16(14)22-23-18)17(25)9-13-5-3-4-6-15(13)20/h3-6,12H,7-11H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)acetyl]-N-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46075917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).