5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide

C38H35F3N6O6S — CID 90929220

About 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide

5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide (PubChem CID 90929220) has the molecular formula C38H35F3N6O6S and a molecular weight of 760.80 g/mol. Its IUPAC name is 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide
• PubChem CID: 90929220
• Molecular Formula: C38H35F3N6O6S
• Molecular Weight: 760.80 g/mol
• Exact Mass: 760.23
• IUPAC Name: 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide
• SMILES: Cc1onc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)nc1
• InChI: InChI=1S/C38H35F3N6O6S/c1-25-36(35(43-53-25)27-6-4-3-5-7-27)54(49,50)44-29-11-15-34(42-22-29)52-31-14-10-28-20-33(45(2)32(28)21-31)37(48)47-18-16-46(17-19-47)23-26-8-12-30(13-9-26)51-24-38(39,40)41/h3-15,20-22,44H,16-19,23-24H2,1-2H3
• InChIKey: FBMVAYIUSRRMCP-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 132.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.80
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide?

The IUPAC name of 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide (CID 90929220) is 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide?

The canonical SMILES for 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide is Cc1onc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)nc1.

What is the InChIKey of 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide?

The InChIKey is FBMVAYIUSRRMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35F3N6O6S/c1-25-36(35(43-53-25)27-6-4-3-5-7-27)54(49,50)44-29-11-15-34(42-22-29)52-31-14-10-28-20-33(45(2)32(28)21-31)37(48)47-18-16-46(17-19-47)23-26-8-12-30(13-9-26)51-24-38(39,40)41/h3-15,20-22,44H,16-19,23-24H2,1-2H3.

What are the key properties of 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide?

5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide has a molecular weight of 760.80 g/mol, XLogP of 7.03, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-phenyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 90929220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).