1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide

C26H29FN4O3S — CID 55817763

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide (PubChem CID 55817763) has the molecular formula C26H29FN4O3S and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide
• PubChem CID: 55817763
• Molecular Formula: C26H29FN4O3S
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.19
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc2F)n1
• InChI: InChI=1S/C26H29FN4O3S/c1-17-14-18(2)31(29-17)25-9-7-22(16-24(25)27)28-26(32)20-10-12-30(13-11-20)35(33,34)23-8-6-19-4-3-5-21(19)15-23/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,28,32)
• InChIKey: UGIHXKYRYNHLQS-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide (CID 55817763) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc2F)n1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide?

The InChIKey is UGIHXKYRYNHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3S/c1-17-14-18(2)31(29-17)25-9-7-22(16-24(25)27)28-26(32)20-10-12-30(13-11-20)35(33,34)23-8-6-19-4-3-5-21(19)15-23/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,28,32).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide?

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55817763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).