N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide

C30H31FN4O4S — CID 118179210

About N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide

N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide (PubChem CID 118179210) has the molecular formula C30H31FN4O4S and a molecular weight of 562.67 g/mol. Its IUPAC name is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide
• PubChem CID: 118179210
• Molecular Formula: C30H31FN4O4S
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.21
• IUPAC Name: N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide
• SMILES: CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cncc(C)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1
• InChI: InChI=1S/C30H31FN4O4S/c1-19-15-22(18-32-17-19)29(37)33-24-7-10-27-26(16-24)30(11-13-34(14-12-30)20(2)36)28(21-3-4-21)35(27)40(38,39)25-8-5-23(31)6-9-25/h5-10,15-18,21,28H,3-4,11-14H2,1-2H3,(H,33,37)
• InChIKey: NUQDNDNHEHOZIU-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 99.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide?

The IUPAC name of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide (CID 118179210) is N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide?

The canonical SMILES for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide is CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cncc(C)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1.

What is the InChIKey of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide?

The InChIKey is NUQDNDNHEHOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O4S/c1-19-15-22(18-32-17-19)29(37)33-24-7-10-27-26(16-24)30(11-13-34(14-12-30)20(2)36)28(21-3-4-21)35(27)40(38,39)25-8-5-23(31)6-9-25/h5-10,15-18,21,28H,3-4,11-14H2,1-2H3,(H,33,37).

What are the key properties of N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide?

N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 118179210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).