3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide

C30H19F5N6O4S — CID 146521068

About 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide

3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide (PubChem CID 146521068) has the molecular formula C30H19F5N6O4S and a molecular weight of 654.58 g/mol. Its IUPAC name is 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide
• PubChem CID: 146521068
• Molecular Formula: C30H19F5N6O4S
• Molecular Weight: 654.58 g/mol
• Exact Mass: 654.11
• IUPAC Name: 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide
• SMILES: Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(F)c(-c4c(F)cc(F)c(S(N)(=O)=O)c4F)cc3[nH]2)c1N
• InChI: InChI=1S/C30H19F5N6O4S/c1-13-6-25(45-24-5-3-2-4-17(24)31)38-12-23(13)41-30(36)16(11-39-41)28(42)22-8-14-7-18(32)15(9-21(14)40-22)26-19(33)10-20(34)29(27(26)35)46(37,43)44/h2-12,40H,36H2,1H3,(H2,37,43,44)
• InChIKey: FYFLHUMDDYNBLR-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 158.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.58
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide?

The IUPAC name of 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide (CID 146521068) is 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide.

What is the SMILES notation for 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide?

The canonical SMILES for 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide is Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(F)c(-c4c(F)cc(F)c(S(N)(=O)=O)c4F)cc3[nH]2)c1N.

What is the InChIKey of 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide?

The InChIKey is FYFLHUMDDYNBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F5N6O4S/c1-13-6-25(45-24-5-3-2-4-17(24)31)38-12-23(13)41-30(36)16(11-39-41)28(42)22-8-14-7-18(32)15(9-21(14)40-22)26-19(33)10-20(34)29(27(26)35)46(37,43)44/h2-12,40H,36H2,1H3,(H2,37,43,44).

What are the key properties of 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide?

3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 654.58 g/mol, XLogP of 5.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 146521068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).