N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C26H31FN4O4S — CID 67200214

About N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 67200214) has the molecular formula C26H31FN4O4S and a molecular weight of 514.62 g/mol. Its IUPAC name is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• PubChem CID: 67200214
• Molecular Formula: C26H31FN4O4S
• Molecular Weight: 514.62 g/mol
• Exact Mass: 514.21
• IUPAC Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)C[C@@H](C)O
• InChI: InChI=1S/C26H31FN4O4S/c1-15(32)13-30(36(33,34)26-17(3)29-35-18(26)4)14-20-6-5-19-11-24-23(16(2)25(19)20)12-28-31(24)22-9-7-21(27)8-10-22/h7-10,12,15-16,20,32H,5-6,11,13-14H2,1-4H3/t15-,16+,20-/m1/s1
• InChIKey: NUHZXMOLSQTDTM-GQIGUUNPSA-N
• XLogP: 4.05
• TPSA: 101.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.62
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 67200214) is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The canonical SMILES for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)C[C@@H](C)O.

What is the InChIKey of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The InChIKey is NUHZXMOLSQTDTM-GQIGUUNPSA-N. The full InChI is InChI=1S/C26H31FN4O4S/c1-15(32)13-30(36(33,34)26-17(3)29-35-18(26)4)14-20-6-5-19-11-24-23(16(2)25(19)20)12-28-31(24)22-9-7-21(27)8-10-22/h7-10,12,15-16,20,32H,5-6,11,13-14H2,1-4H3/t15-,16+,20-/m1/s1.

What are the key properties of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 514.62 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 67200214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).