1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide

C25H21F3N4O2S — CID 127053238

IUPAC1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide
SMILESCc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1
InChIInChI=1S/C25H21F3N4O2S/c1-17-14-24-29-11-13-31(24)15-21(17)18-6-8-19(9-7-18)32(16-25(26,27)28)35(33,34)23-5-3-4-22-20(23)10-12-30(22)2/h3-15H,16H2,1-2H3
InChIKeyWSMZYFXIDVOVHR-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.56
Rot. Bonds5

About 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide

1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide (PubChem CID 127053238) has the molecular formula C25H21F3N4O2S and a molecular weight of 498.53 g/mol. Its IUPAC name is 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide
PubChem CID127053238
Molecular FormulaC25H21F3N4O2S
Molecular Weight498.53 g/mol
Exact Mass498.13
IUPAC Name1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide
SMILESCc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1
InChIInChI=1S/C25H21F3N4O2S/c1-17-14-24-29-11-13-31(24)15-21(17)18-6-8-19(9-7-18)32(16-25(26,27)28)35(33,34)23-5-3-4-22-20(23)10-12-30(22)2/h3-15H,16H2,1-2H3
InChIKeyWSMZYFXIDVOVHR-UHFFFAOYSA-N
XLogP5.56
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide (CID 127053238) is 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide is Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1.
What is the InChIKey of 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide?
The InChIKey is WSMZYFXIDVOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2S/c1-17-14-24-29-11-13-31(24)15-21(17)18-6-8-19(9-7-18)32(16-25(26,27)28)35(33,34)23-5-3-4-22-20(23)10-12-30(22)2/h3-15H,16H2,1-2H3.
What are the key properties of 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide?
1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide has a molecular weight of 498.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide is sourced from PubChem (CID 127053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).