N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

C26H29FN4O5S — CID 147299431

About N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (PubChem CID 147299431) has the molecular formula C26H29FN4O5S and a molecular weight of 528.61 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
• PubChem CID: 147299431
• Molecular Formula: C26H29FN4O5S
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.18
• IUPAC Name: N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C2CC2)COC1
• InChI: InChI=1S/C26H29FN4O5S/c1-16(2)20-9-18(27)10-21(17-5-4-8-28-13-17)22(20)11-24(32)30-37(33,34)25-12-23(26(35-3)14-36-15-26)31(29-25)19-6-7-19/h4-5,8-10,12-13,16,19H,6-7,11,14-15H2,1-3H3,(H,30,32)
• InChIKey: CVTQXRWVQXVLCK-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?

The IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (CID 147299431) is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.

What is the SMILES notation for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?

The canonical SMILES for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C2CC2)COC1.

What is the InChIKey of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?

The InChIKey is CVTQXRWVQXVLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5S/c1-16(2)20-9-18(27)10-21(17-5-4-8-28-13-17)22(20)11-24(32)30-37(33,34)25-12-23(26(35-3)14-36-15-26)31(29-25)19-6-7-19/h4-5,8-10,12-13,16,19H,6-7,11,14-15H2,1-3H3,(H,30,32).

What are the key properties of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide has a molecular weight of 528.61 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 147299431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).