[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone

C31H28F3N5O6S — CID 160823757

About [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone

[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone (PubChem CID 160823757) has the molecular formula C31H28F3N5O6S and a molecular weight of 655.66 g/mol. Its IUPAC name is [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone.

Molecular Properties

• Compound Name: [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone
• PubChem CID: 160823757
• Molecular Formula: C31H28F3N5O6S
• Molecular Weight: 655.66 g/mol
• Exact Mass: 655.17
• IUPAC Name: [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone
• SMILES: Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)C2=Cc3cc(OC(F)F)c(CS(=O)(=O)N4CCOCC4)cc3C2)c1N
• InChI: InChI=1S/C31H28F3N5O6S/c1-18-10-28(44-26-5-3-2-4-24(26)32)36-16-25(18)39-30(35)23(15-37-39)29(40)21-11-19-13-22(27(45-31(33)34)14-20(19)12-21)17-46(41,42)38-6-8-43-9-7-38/h2-5,10,12-16,31H,6-9,11,17,35H2,1H3
• InChIKey: SFWQNNSNTYBAMU-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 138.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.66
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone?

The IUPAC name of [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone (CID 160823757) is [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone.

What is the SMILES notation for [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone?

The canonical SMILES for [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone is Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)C2=Cc3cc(OC(F)F)c(CS(=O)(=O)N4CCOCC4)cc3C2)c1N.

What is the InChIKey of [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone?

The InChIKey is SFWQNNSNTYBAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O6S/c1-18-10-28(44-26-5-3-2-4-24(26)32)36-16-25(18)39-30(35)23(15-37-39)29(40)21-11-19-13-22(27(45-31(33)34)14-20(19)12-21)17-46(41,42)38-6-8-43-9-7-38/h2-5,10,12-16,31H,6-9,11,17,35H2,1H3.

What are the key properties of [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone?

[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone has a molecular weight of 655.66 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone is sourced from PubChem (CID 160823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).