1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C27H32N6O4S — CID 46365353

About 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 46365353) has the molecular formula C27H32N6O4S and a molecular weight of 536.66 g/mol. Its IUPAC name is 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 46365353
• Molecular Formula: C27H32N6O4S
• Molecular Weight: 536.66 g/mol
• Exact Mass: 536.22
• IUPAC Name: 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccnc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)N3CCc4ccccc43)c2C)C1
• InChI: InChI=1S/C27H32N6O4S/c1-18-8-6-13-28-26(18)29-27(35)22-10-7-14-31(16-22)38(36,37)25-19(2)30-33(20(25)3)17-24(34)32-15-12-21-9-4-5-11-23(21)32/h4-6,8-9,11,13,22H,7,10,12,14-17H2,1-3H3,(H,28,29,35)
• InChIKey: ZYYVAYIBJSMHOO-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 117.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.66
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 46365353) is 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)N3CCc4ccccc43)c2C)C1.

What is the InChIKey of 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is ZYYVAYIBJSMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4S/c1-18-8-6-13-28-26(18)29-27(35)22-10-7-14-31(16-22)38(36,37)25-19(2)30-33(20(25)3)17-24(34)32-15-12-21-9-4-5-11-23(21)32/h4-6,8-9,11,13,22H,7,10,12,14-17H2,1-3H3,(H,28,29,35).

What are the key properties of 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?

1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 46365353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).