1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one

C24H25F3N2O5S — CID 165028398

About 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one

1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one (PubChem CID 165028398) has the molecular formula C24H25F3N2O5S and a molecular weight of 510.53 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one
• PubChem CID: 165028398
• Molecular Formula: C24H25F3N2O5S
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.14
• IUPAC Name: 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one
• SMILES: CC1(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OC(F)F)ncc2F)CCS(=O)(=O)CC1
• InChI: InChI=1S/C24H25F3N2O5S/c1-23(2)15-10-14(19(30)12-24(3)6-8-35(32,33)9-7-24)4-5-17(15)29(21(23)31)18-11-20(34-22(26)27)28-13-16(18)25/h4-5,10-11,13,22H,6-9,12H2,1-3H3
• InChIKey: MGGJORKDGAKEAA-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 93.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one?

The IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one (CID 165028398) is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one.

What is the SMILES notation for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one?

The canonical SMILES for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one is CC1(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OC(F)F)ncc2F)CCS(=O)(=O)CC1.

What is the InChIKey of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one?

The InChIKey is MGGJORKDGAKEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O5S/c1-23(2)15-10-14(19(30)12-24(3)6-8-35(32,33)9-7-24)4-5-17(15)29(21(23)31)18-11-20(34-22(26)27)28-13-16(18)25/h4-5,10-11,13,22H,6-9,12H2,1-3H3.

What are the key properties of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one?

1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one has a molecular weight of 510.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one is sourced from PubChem (CID 165028398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).