6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C26H27N5O4S — CID 131989406

About 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 131989406) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 131989406
• Molecular Formula: C26H27N5O4S
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.18
• IUPAC Name: 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3cnn(C(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
• InChI: InChI=1S/C26H27N5O4S/c1-16(2)31-15-20(14-28-31)22-10-9-21(25(32)30-36(33,34)23-8-6-7-11-27-23)26(29-22)35-24-18(4)12-17(3)13-19(24)5/h6-16H,1-5H3,(H,30,32)
• InChIKey: RHHRBEAJVGVDCN-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 116.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 131989406) is 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cnn(C(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1.

What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is RHHRBEAJVGVDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-16(2)31-15-20(14-28-31)22-10-9-21(25(32)30-36(33,34)23-8-6-7-11-27-23)26(29-22)35-24-18(4)12-17(3)13-19(24)5/h6-16H,1-5H3,(H,30,32).

What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131989406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).