2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide

C24H24FN5O3S — CID 155613833

About 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide

2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide (PubChem CID 155613833) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide
• PubChem CID: 155613833
• Molecular Formula: C24H24FN5O3S
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.16
• IUPAC Name: 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide
• SMILES: O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)C(NS(=O)(=O)C1CNC1)c1cccnc1
• InChI: InChI=1S/C24H24FN5O3S/c25-21-11-20(15-6-9-26-10-7-15)23(19-5-1-4-18(19)21)29-24(31)22(16-3-2-8-27-12-16)30-34(32,33)17-13-28-14-17/h2-3,6-12,17,22,28,30H,1,4-5,13-14H2,(H,29,31)
• InChIKey: CETVXTAOXKVCAM-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 113.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide?

The IUPAC name of 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide (CID 155613833) is 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide.

What is the SMILES notation for 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide?

The canonical SMILES for 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide is O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)C(NS(=O)(=O)C1CNC1)c1cccnc1.

What is the InChIKey of 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide?

The InChIKey is CETVXTAOXKVCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c25-21-11-20(15-6-9-26-10-7-15)23(19-5-1-4-18(19)21)29-24(31)22(16-3-2-8-27-12-16)30-34(32,33)17-13-28-14-17/h2-3,6-12,17,22,28,30H,1,4-5,13-14H2,(H,29,31).

What are the key properties of 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide?

2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide has a molecular weight of 481.55 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-3-ylsulfonylamino)-N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 155613833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).