N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide

C32H33FN4O2 — CID 42871700

About N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide

N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide (PubChem CID 42871700) has the molecular formula C32H33FN4O2 and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
• PubChem CID: 42871700
• Molecular Formula: C32H33FN4O2
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.26
• IUPAC Name: N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)N(Cc2nn(-c3cccc(F)c3)c3c2CN(Cc2ccccc2)CC3)C2CC2)cc1
• InChI: InChI=1S/C32H33FN4O2/c1-39-28-14-10-23(11-15-28)18-32(38)36(26-12-13-26)22-30-29-21-35(20-24-6-3-2-4-7-24)17-16-31(29)37(34-30)27-9-5-8-25(33)19-27/h2-11,14-15,19,26H,12-13,16-18,20-22H2,1H3
• InChIKey: ZZRQRVMSDBAVTO-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide (CID 42871700) is N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N(Cc2nn(-c3cccc(F)c3)c3c2CN(Cc2ccccc2)CC3)C2CC2)cc1.

What is the InChIKey of N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide?

The InChIKey is ZZRQRVMSDBAVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O2/c1-39-28-14-10-23(11-15-28)18-32(38)36(26-12-13-26)22-30-29-21-35(20-24-6-3-2-4-7-24)17-16-31(29)37(34-30)27-9-5-8-25(33)19-27/h2-11,14-15,19,26H,12-13,16-18,20-22H2,1H3.

What are the key properties of N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide?

N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 524.64 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).