N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

C26H29FN4O6S — CID 147568215

About N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 147568215) has the molecular formula C26H29FN4O6S and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
• PubChem CID: 147568215
• Molecular Formula: C26H29FN4O6S
• Molecular Weight: 544.61 g/mol
• Exact Mass: 544.18
• IUPAC Name: N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
• SMILES: CCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)cc1C1(OC)COC1
• InChI: InChI=1S/C26H29FN4O6S/c1-4-31-22(26(36-3)14-37-15-26)13-25(29-31)38(33,34)30-23(32)12-20-17-6-5-7-18(17)21(27)11-19(20)16-8-9-28-24(10-16)35-2/h8-11,13H,4-7,12,14-15H2,1-3H3,(H,30,32)
• InChIKey: FTZMFWKOURENNF-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 121.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.61
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?

The IUPAC name of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (CID 147568215) is N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

What is the SMILES notation for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?

The canonical SMILES for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is CCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)cc1C1(OC)COC1.

What is the InChIKey of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?

The InChIKey is FTZMFWKOURENNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O6S/c1-4-31-22(26(36-3)14-37-15-26)13-25(29-31)38(33,34)30-23(32)12-20-17-6-5-7-18(17)21(27)11-19(20)16-8-9-28-24(10-16)35-2/h8-11,13H,4-7,12,14-15H2,1-3H3,(H,30,32).

What are the key properties of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?

N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 544.61 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 147568215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).