1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

C20H22N6O4S — CID 171918638

About 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 171918638) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
• PubChem CID: 171918638
• Molecular Formula: C20H22N6O4S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.14
• IUPAC Name: 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
• SMILES: COC[C@](C)(O)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1
• InChI: InChI=1S/C20H22N6O4S/c1-20(27,13-30-3)15-7-8-21-18(9-15)26-12-16(11-23-26)31(28,29)24-17-6-4-5-14-10-22-25(2)19(14)17/h4-12,24,27H,13H2,1-3H3/t20-/m0/s1
• InChIKey: CRESAKDRPFCYFQ-FQEVSTJZSA-N
• XLogP: 1.81
• TPSA: 124.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The IUPAC name of 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 171918638) is 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

What is the SMILES notation for 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The canonical SMILES for 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is COC[C@](C)(O)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1.

What is the InChIKey of 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The InChIKey is CRESAKDRPFCYFQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-20(27,13-30-3)15-7-8-21-18(9-15)26-12-16(11-23-26)31(28,29)24-17-6-4-5-14-10-22-25(2)19(14)17/h4-12,24,27H,13H2,1-3H3/t20-/m0/s1.

What are the key properties of 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 442.50 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 171918638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).