2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

C26H29FN4O5S — CID 147276907

About 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 147276907) has the molecular formula C26H29FN4O5S and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

• Compound Name: 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• PubChem CID: 147276907
• Molecular Formula: C26H29FN4O5S
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.18
• IUPAC Name: 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C(C)C)COC1
• InChI: InChI=1S/C26H29FN4O5S/c1-16(2)31-23(26(35-3)14-36-15-26)13-25(29-31)37(33,34)30-24(32)12-21-18-5-4-6-19(18)22(27)11-20(21)17-7-9-28-10-8-17/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,30,32)
• InChIKey: CRNXAPQDGUVNGY-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The IUPAC name of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 147276907) is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

What is the SMILES notation for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The canonical SMILES for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C(C)C)COC1.

What is the InChIKey of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The InChIKey is CRNXAPQDGUVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5S/c1-16(2)31-23(26(35-3)14-36-15-26)13-25(29-31)37(33,34)30-24(32)12-21-18-5-4-6-19(18)22(27)11-20(21)17-7-9-28-10-8-17/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,30,32).

What are the key properties of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 528.61 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 147276907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).