6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C23H29N7O4S — CID 134587303

About 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 134587303) has the molecular formula C23H29N7O4S and a molecular weight of 499.60 g/mol. Its IUPAC name is 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 134587303
• Molecular Formula: C23H29N7O4S
• Molecular Weight: 499.60 g/mol
• Exact Mass: 499.20
• IUPAC Name: 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(OC4CC4)n3)ccc2C(=O)NS(=O)(=O)c2cnn(C)c2)C(C)(C)C1
• InChI: InChI=1S/C23H29N7O4S/c1-15-11-23(2,3)29(13-15)21-18(22(31)27-35(32,33)17-12-24-28(4)14-17)7-8-19(25-21)30-10-9-20(26-30)34-16-5-6-16/h7-10,12,14-16H,5-6,11,13H2,1-4H3,(H,27,31)/t15-/m0/s1
• InChIKey: YPNXJKLRVWVKPG-HNNXBMFYSA-N
• XLogP: 2.29
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.60
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 134587303) is 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-n3ccc(OC4CC4)n3)ccc2C(=O)NS(=O)(=O)c2cnn(C)c2)C(C)(C)C1.

What is the InChIKey of 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is YPNXJKLRVWVKPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H29N7O4S/c1-15-11-23(2,3)29(13-15)21-18(22(31)27-35(32,33)17-12-24-28(4)14-17)7-8-19(25-21)30-10-9-20(26-30)34-16-5-6-16/h7-10,12,14-16H,5-6,11,13H2,1-4H3,(H,27,31)/t15-/m0/s1.

What are the key properties of 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).