N-[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 137358983

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

N-[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 137358983) has the molecular formula C30H19F5N6O4S and a molecular weight of 654.58 g/mol. Its IUPAC name is N-[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: N-[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: 137358983
• Molecular Formula: C30H19F5N6O4S
• Molecular Weight: 654.58 g/mol
• Exact Mass: 654.11
• IUPAC Name: N-[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(NS(=O)(=O)c4c(F)cc(F)cc4F)cc3[nH]2)c1N
• InChI: InChI=1S/C30H19F5N6O4S/c1-14-6-27(45-26-5-3-2-4-18(26)32)37-13-25(14)41-30(36)17(12-38-41)28(42)24-8-15-7-19(33)23(11-22(15)39-24)40-46(43,44)29-20(34)9-16(31)10-21(29)35/h2-13,39-40H,36H2,1H3
• InChIKey: ZQWBBYAKPSGJLG-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.58
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[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 N-[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 137358983) is N-[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 N-[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 N-[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(NS(=O)(=O)c4c(F)cc(F)cc4F)cc3[nH]2)c1N.

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

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

N-[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 6.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[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 137358983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).