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

C27H24ClFN4O3S — CID 53019310

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

N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide (PubChem CID 53019310) has the molecular formula C27H24ClFN4O3S and a molecular weight of 539.03 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide
• PubChem CID: 53019310
• Molecular Formula: C27H24ClFN4O3S
• Molecular Weight: 539.03 g/mol
• Exact Mass: 538.12
• IUPAC Name: N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide
• SMILES: Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2
• InChI: InChI=1S/C27H24ClFN4O3S/c1-31-26-15-16-32(37(35,36)21-13-11-19(28)12-14-21)17-23(26)25(30-31)18-33(20-7-3-2-4-8-20)27(34)22-9-5-6-10-24(22)29/h2-14H,15-18H2,1H3
• InChIKey: ZYSZLBAITQGTCW-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 75.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.03
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide (CID 53019310) is N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide.

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

The canonical SMILES for N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide is Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2.

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

The InChIKey is ZYSZLBAITQGTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O3S/c1-31-26-15-16-32(37(35,36)21-13-11-19(28)12-14-21)17-23(26)25(30-31)18-33(20-7-3-2-4-8-20)27(34)22-9-5-6-10-24(22)29/h2-14H,15-18H2,1H3.

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

N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide has a molecular weight of 539.03 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide is sourced from PubChem (CID 53019310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).