N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide

C28H32ClFN4O — CID 42871544

About N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide

N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 42871544) has the molecular formula C28H32ClFN4O and a molecular weight of 495.04 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
• PubChem CID: 42871544
• Molecular Formula: C28H32ClFN4O
• Molecular Weight: 495.04 g/mol
• Exact Mass: 494.22
• IUPAC Name: N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
• SMILES: CC(C)CN(Cc1nn(-c2cccc(Cl)c2)c2c1CN(CC1CC1)CC2)C(=O)c1ccccc1F
• InChI: InChI=1S/C28H32ClFN4O/c1-19(2)15-33(28(35)23-8-3-4-9-25(23)30)18-26-24-17-32(16-20-10-11-20)13-12-27(24)34(31-26)22-7-5-6-21(29)14-22/h3-9,14,19-20H,10-13,15-18H2,1-2H3
• InChIKey: WZCWSOSSBCZLRL-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.04
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 42871544) is N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nn(-c2cccc(Cl)c2)c2c1CN(CC1CC1)CC2)C(=O)c1ccccc1F.

What is the InChIKey of N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?

The InChIKey is WZCWSOSSBCZLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN4O/c1-19(2)15-33(28(35)23-8-3-4-9-25(23)30)18-26-24-17-32(16-20-10-11-20)13-12-27(24)34(31-26)22-7-5-6-21(29)14-22/h3-9,14,19-20H,10-13,15-18H2,1-2H3.

What are the key properties of N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?

N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 495.04 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42871544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).