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

C27H24F2N4O3S — CID 53019244

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

4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide (PubChem CID 53019244) has the molecular formula C27H24F2N4O3S and a molecular weight of 522.58 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
• PubChem CID: 53019244
• Molecular Formula: C27H24F2N4O3S
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.15
• IUPAC Name: 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
• SMILES: Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(F)c1)C2
• InChI: InChI=1S/C27H24F2N4O3S/c1-31-26-14-15-32(37(35,36)23-9-5-6-21(29)16-23)17-24(26)25(30-31)18-33(22-7-3-2-4-8-22)27(34)19-10-12-20(28)13-11-19/h2-13,16H,14-15,17-18H2,1H3
• InChIKey: WDOAGLBXRSNUNY-UHFFFAOYSA-N
• XLogP: 4.29
• 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	522.58
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide (CID 53019244) is 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide.

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

The canonical SMILES for 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide is Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(F)c1)C2.

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

The InChIKey is WDOAGLBXRSNUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3S/c1-31-26-14-15-32(37(35,36)23-9-5-6-21(29)16-23)17-24(26)25(30-31)18-33(22-7-3-2-4-8-22)27(34)19-10-12-20(28)13-11-19/h2-13,16H,14-15,17-18H2,1H3.

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

4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide has a molecular weight of 522.58 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 53019244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).