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

C26H26FN5O4S — CID 53019247

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

N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide (PubChem CID 53019247) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide.

Molecular Properties

• Compound Name: N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide
• PubChem CID: 53019247
• Molecular Formula: C26H26FN5O4S
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.17
• IUPAC Name: N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1
• InChI: InChI=1S/C26H26FN5O4S/c1-17-25(18(2)36-29-17)37(34,35)31-14-13-24-22(15-31)23(28-30(24)3)16-32(21-7-5-4-6-8-21)26(33)19-9-11-20(27)12-10-19/h4-12H,13-16H2,1-3H3
• InChIKey: MPAGAMVNPHEHQF-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 101.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide (CID 53019247) is N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide.

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

The canonical SMILES for N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide is Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1.

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

The InChIKey is MPAGAMVNPHEHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-17-25(18(2)36-29-17)37(34,35)31-14-13-24-22(15-31)23(28-30(24)3)16-32(21-7-5-4-6-8-21)26(33)19-9-11-20(27)12-10-19/h4-12H,13-16H2,1-3H3.

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

N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide has a molecular weight of 523.59 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-fluoro-N-phenylbenzamide is sourced from PubChem (CID 53019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).