N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H25FN4O4S — CID 155464079

About N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464079) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• PubChem CID: 155464079
• Molecular Formula: C23H25FN4O4S
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.16
• IUPAC Name: N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• SMILES: COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1
• InChI: InChI=1S/C23H25FN4O4S/c1-14(2)19-9-16(24)10-20(15-6-7-25-23(8-15)32-3)21(19)11-22(29)27-33(30,31)18-12-26-28(13-18)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29)
• InChIKey: PZORVFQFDQFYNG-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 103.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464079) is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

What is the SMILES notation for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The canonical SMILES for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1.

What is the InChIKey of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The InChIKey is PZORVFQFDQFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-14(2)19-9-16(24)10-20(15-6-7-25-23(8-15)32-3)21(19)11-22(29)27-33(30,31)18-12-26-28(13-18)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29).

What are the key properties of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).