N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide

C21H21FN4O — CID 42517587

About N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide

N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide (PubChem CID 42517587) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
• PubChem CID: 42517587
• Molecular Formula: C21H21FN4O
• Molecular Weight: 364.42 g/mol
• Exact Mass: 364.17
• IUPAC Name: N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(CN2CCc3[nH]nc(-c4ccccc4F)c3C2)cc1
• InChI: InChI=1S/C21H21FN4O/c1-14(27)23-16-8-6-15(7-9-16)12-26-11-10-20-18(13-26)21(25-24-20)17-4-2-3-5-19(17)22/h2-9H,10-13H2,1H3,(H,23,27)(H,24,25)
• InChIKey: HDKQVWUNNQDVEE-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.42
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?

The IUPAC name of N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide (CID 42517587) is N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCc3[nH]nc(-c4ccccc4F)c3C2)cc1.

What is the InChIKey of N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?

The InChIKey is HDKQVWUNNQDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(27)23-16-8-6-15(7-9-16)12-26-11-10-20-18(13-26)21(25-24-20)17-4-2-3-5-19(17)22/h2-9H,10-13H2,1H3,(H,23,27)(H,24,25).

What are the key properties of N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?

N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 42517587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).