5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide

C17H18FN7O — CID 91787315

About 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide

5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide (PubChem CID 91787315) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
• PubChem CID: 91787315
• Molecular Formula: C17H18FN7O
• Molecular Weight: 355.38 g/mol
• Exact Mass: 355.16
• IUPAC Name: 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
• SMILES: Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)c2cncc(F)c2)C1
• InChI: InChI=1S/C17H18FN7O/c1-24-15(10-25-4-2-3-20-25)22-23-16(24)11-6-14(7-11)21-17(26)12-5-13(18)9-19-8-12/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,21,26)
• InChIKey: GTWURQFWKIAQOR-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.38
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide (CID 91787315) is 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)c2cncc(F)c2)C1.

What is the InChIKey of 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?

The InChIKey is GTWURQFWKIAQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-24-15(10-25-4-2-3-20-25)22-23-16(24)11-6-14(7-11)21-17(26)12-5-13(18)9-19-8-12/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,21,26).

What are the key properties of 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?

5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 91787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).