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

C18H21FN4O2 — CID 46075922

IUPAC5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C18H21FN4O2/c1-11(2)20-18(25)17-13-10-23(8-7-15(13)21-22-17)16(24)9-12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeySPKGVJRJEZRRPZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.81
Rot. Bonds4

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

5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46075922) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46075922
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C18H21FN4O2/c1-11(2)20-18(25)17-13-10-23(8-7-15(13)21-22-17)16(24)9-12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeySPKGVJRJEZRRPZ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46075922) is 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)NC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2.
What is the InChIKey of 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SPKGVJRJEZRRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)20-18(25)17-13-10-23(8-7-15(13)21-22-17)16(24)9-12-5-3-4-6-14(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(2-fluorophenyl)acetyl]-N-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.81, 4 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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46075922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).