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

C23H17F4N5O2S — CID 66734595

IUPAC6-[3-cyano-1-(2-fluorophenyl)-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-c1ccccc1F
InChIInChI=1S/C23H17F4N5O2S/c1-13-9-16-17(10-28)21(32(22(16)30-11-13)20-6-4-3-5-18(20)24)19-8-7-15(12-29-19)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1
InChIKeyJWBUGRXYOZEAEC-AWEZNQCLSA-N
MW503.48 g/mol
LogP4.64
Rot. Bonds5

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

6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66734595) has the molecular formula C23H17F4N5O2S and a molecular weight of 503.48 g/mol. Its IUPAC name is 6-[3-cyano-1-(2-fluorophenyl)-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-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66734595
Molecular FormulaC23H17F4N5O2S
Molecular Weight503.48 g/mol
Exact Mass503.10
IUPAC Name6-[3-cyano-1-(2-fluorophenyl)-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-c1ccccc1F
InChIInChI=1S/C23H17F4N5O2S/c1-13-9-16-17(10-28)21(32(22(16)30-11-13)20-6-4-3-5-18(20)24)19-8-7-15(12-29-19)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1
InChIKeyJWBUGRXYOZEAEC-AWEZNQCLSA-N
XLogP4.64
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

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CID 66731056
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
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N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
1-Methyl-2-[4-(Piperazin-1-Yl)phenyl]-1h-Pyrrolo[2,3-B]pyridine-4-Carbonitrile
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CID 24983829
6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide
CID 24985395
6-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]pyridine-3-sulfonamide
CID 24985745
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CID 44125376
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CID 44415979
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-(2-fluorophenyl)-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-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66734595) is 6-[3-cyano-1-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-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-c1ccccc1F.
What is the InChIKey of 6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is JWBUGRXYOZEAEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F4N5O2S/c1-13-9-16-17(10-28)21(32(22(16)30-11-13)20-6-4-3-5-18(20)24)19-8-7-15(12-29-19)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1.
What are the key properties of 6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 503.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66734595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).