6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C22H16F4N6O2S — CID 66734488

IUPAC6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C22H16F4N6O2S/c1-12-7-16-17(8-27)20(32(21(16)30-9-12)19-6-3-14(23)10-29-19)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26/h3-7,9-11,13,31H,1-2H3/t13-/m0/s1
InChIKeyBLJQOURRAGWHRU-ZDUSSCGKSA-N
MW504.47 g/mol
LogP4.03
Rot. Bonds5

About 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66734488) has the molecular formula C22H16F4N6O2S and a molecular weight of 504.47 g/mol. Its IUPAC name is 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66734488
Molecular FormulaC22H16F4N6O2S
Molecular Weight504.47 g/mol
Exact Mass504.10
IUPAC Name6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C22H16F4N6O2S/c1-12-7-16-17(8-27)20(32(21(16)30-9-12)19-6-3-14(23)10-29-19)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26/h3-7,9-11,13,31H,1-2H3/t13-/m0/s1
InChIKeyBLJQOURRAGWHRU-ZDUSSCGKSA-N
XLogP4.03
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-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

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66734488) is 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1.
What is the InChIKey of 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is BLJQOURRAGWHRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H16F4N6O2S/c1-12-7-16-17(8-27)20(32(21(16)30-9-12)19-6-3-14(23)10-29-19)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26/h3-7,9-11,13,31H,1-2H3/t13-/m0/s1.
What are the key properties of 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 504.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66734488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).