6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C20H15F3N6O2S2 — CID 77182013

IUPAC6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)n(-c3cscn3)c2c1
InChIInChI=1S/C20H15F3N6O2S2/c1-11-5-16-18(26-7-11)14(6-24)19(29(16)17-9-32-10-27-17)15-4-3-13(8-25-15)33(30,31)28-12(2)20(21,22)23/h3-5,7-10,12,28H,1-2H3
InChIKeyIWTYKOLTIVKXHN-UHFFFAOYSA-N
MW492.51 g/mol
LogP3.95
Rot. Bonds5

About 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77182013) has the molecular formula C20H15F3N6O2S2 and a molecular weight of 492.51 g/mol. Its IUPAC name is 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID77182013
Molecular FormulaC20H15F3N6O2S2
Molecular Weight492.51 g/mol
Exact Mass492.07
IUPAC Name6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)n(-c3cscn3)c2c1
InChIInChI=1S/C20H15F3N6O2S2/c1-11-5-16-18(26-7-11)14(6-24)19(29(16)17-9-32-10-27-17)15-4-3-13(8-25-15)33(30,31)28-12(2)20(21,22)23/h3-5,7-10,12,28H,1-2H3
InChIKeyIWTYKOLTIVKXHN-UHFFFAOYSA-N
XLogP3.95
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide
CID 24985395
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 57433668
4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 59177061
6-(3-cyano-6-ethyl-5-fluoro-1-thiazol-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731241
6-(3-cyano-5-fluoro-6-methyl-1-thiazol-4-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733009
6-(3-cyano-5-fluoro-6-methyl-1-thiazol-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733624
US9670204, 96 2-(2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)thiazol-4-yl)-5-fluorobenzonitrile
CID 90420170
US9670204, 136 2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile
CID 90421105
6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134456035
US9670204, 90 N-(6-(1-(3-aminopropylsulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78426435
US9725449, Example 122
CID 122686378
US9725449, Example 124
CID 122687277

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77182013) is 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)n(-c3cscn3)c2c1.
What is the InChIKey of 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is IWTYKOLTIVKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2S2/c1-11-5-16-18(26-7-11)14(6-24)19(29(16)17-9-32-10-27-17)15-4-3-13(8-25-15)33(30,31)28-12(2)20(21,22)23/h3-5,7-10,12,28H,1-2H3.
What are the key properties of 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 492.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77182013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).