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

C21H22F3N5O2S — CID 77181999

IUPAC6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2CC(C)C
InChIInChI=1S/C21H22F3N5O2S/c1-12(2)11-29-19(17(8-25)16-7-13(3)9-27-20(16)29)18-6-5-15(10-26-18)32(30,31)28-14(4)21(22,23)24/h5-7,9-10,12,14,28H,11H2,1-4H3
InChIKeyMBLATIPYPRQZNT-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.16
Rot. Bonds6

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

6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181999) has the molecular formula C21H22F3N5O2S and a molecular weight of 465.50 g/mol. Its IUPAC name is 6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID77181999
Molecular FormulaC21H22F3N5O2S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC Name6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2CC(C)C
InChIInChI=1S/C21H22F3N5O2S/c1-12(2)11-29-19(17(8-25)16-7-13(3)9-27-20(16)29)18-6-5-15(10-26-18)32(30,31)28-14(4)21(22,23)24/h5-7,9-10,12,14,28H,11H2,1-4H3
InChIKeyMBLATIPYPRQZNT-UHFFFAOYSA-N
XLogP4.16
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66735395
6-(3-cyano-5-methyl-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 75293330
4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 66734644
6-[3-cyano-5-methyl-1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66735028
6-[3-cyano-1-(cyclopropylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 91487696
6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66731032
6-[3-cyano-1-(cyclobutadienyl)-5-ethylpyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77182077
6-[3-cyano-1-(cyclobutadienyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 77182108
6-[3,5-dicyano-1-(cyclobutadienyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734472
6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66733420
6-[3-cyano-5-ethyl-1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77182080
6-[3-cyano-1-cyclobutyl-5-(difluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66738052

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-5-methyl-1-(2-methylpropyl)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-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181999) is 6-[3-cyano-5-methyl-1-(2-methylpropyl)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-methyl-1-(2-methylpropyl)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-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2CC(C)C.
What is the InChIKey of 6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MBLATIPYPRQZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2S/c1-12(2)11-29-19(17(8-25)16-7-13(3)9-27-20(16)29)18-6-5-15(10-26-18)32(30,31)28-14(4)21(22,23)24/h5-7,9-10,12,14,28H,11H2,1-4H3.
What are the key properties of 6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 465.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).