6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C21H17F3N6O2S2 — CID 77182846

IUPAC6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1nccs1
InChIInChI=1S/C21H17F3N6O2S2/c1-3-13-8-15-16(9-25)18(30(19(15)28-10-13)20-26-6-7-33-20)17-5-4-14(11-27-17)34(31,32)29-12(2)21(22,23)24/h4-8,10-12,29H,3H2,1-2H3
InChIKeyJCVMHQOGCLALKW-UHFFFAOYSA-N
MW506.54 g/mol
LogP4.21
Rot. Bonds6

About 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77182846) has the molecular formula C21H17F3N6O2S2 and a molecular weight of 506.54 g/mol. Its IUPAC name is 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID77182846
Molecular FormulaC21H17F3N6O2S2
Molecular Weight506.54 g/mol
Exact Mass506.08
IUPAC Name6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1nccs1
InChIInChI=1S/C21H17F3N6O2S2/c1-3-13-8-15-16(9-25)18(30(19(15)28-10-13)20-26-6-7-33-20)17-5-4-14(11-27-17)34(31,32)29-12(2)21(22,23)24/h4-8,10-12,29H,3H2,1-2H3
InChIKeyJCVMHQOGCLALKW-UHFFFAOYSA-N
XLogP4.21
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
6-(5-chloro-3-cyano-1-cyclobutyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49780040
6-[5-cyano-7-cyclobutyl-2-(difluoromethoxy)pyrrolo[2,3-d]pyrimidin-6-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49780245
6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49780246
6-(3-cyano-1-cyclobutyl-5-methyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49780450
2-(3-cyano-1-cyclobutyl-5-methyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyrimidine-5-sulfonamide
CID 49780452
6-(5-chloro-3-cyano-1-cyclopentyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49782677
6-(5-cyano-7-cyclobutyl-2-methoxy-pyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49783093
6-(3-cyano-1-cyclobutyl-5-ethyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49784852
6-(6-chloro-3-cyano-1-cyclobutyl-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49784853
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77182846) is 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1nccs1.
What is the InChIKey of 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is JCVMHQOGCLALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2S2/c1-3-13-8-15-16(9-25)18(30(19(15)28-10-13)20-26-6-7-33-20)17-5-4-14(11-27-17)34(31,32)29-12(2)21(22,23)24/h4-8,10-12,29H,3H2,1-2H3.
What are the key properties of 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 506.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-5-ethyl-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77182846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).