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

C20H18N6O2S2 — CID 142493141

IUPACN-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
SMILESCC(C)(C#N)CNS(=O)(=O)c1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1
InChIInChI=1S/C20H18N6O2S2/c1-20(2,11-21)12-24-30(27,28)17-5-3-4-15(25-17)14-8-13-9-16(19-22-6-7-29-19)26-18(13)23-10-14/h3-10,24H,12H2,1-2H3,(H,23,26)
InChIKeyBVQZQZWBDJQYRJ-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.58
Rot. Bonds6

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

N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide (PubChem CID 142493141) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
PubChem CID142493141
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC NameN-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
SMILESCC(C)(C#N)CNS(=O)(=O)c1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1
InChIInChI=1S/C20H18N6O2S2/c1-20(2,11-21)12-24-30(27,28)17-5-3-4-15(25-17)14-8-13-9-16(19-22-6-7-29-19)26-18(13)23-10-14/h3-10,24H,12H2,1-2H3,(H,23,26)
InChIKeyBVQZQZWBDJQYRJ-UHFFFAOYSA-N
XLogP3.58
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde
CID 142493126
N-(cyanomethyl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
CID 137355849
N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186665
N-(2-cyano-2-methylpropyl)-6-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxamide
CID 142493100
N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 129186655
N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186689
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129198623
ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole
CID 142178675
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
2-(3,6-dihydro-2H-thiopyran-4-yl)-5-(6-iodo-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 129208845
N-(2-cyano-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 104626574

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide (CID 142493141) is N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide is CC(C)(C#N)CNS(=O)(=O)c1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide?
The InChIKey is BVQZQZWBDJQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-20(2,11-21)12-24-30(27,28)17-5-3-4-15(25-17)14-8-13-9-16(19-22-6-7-29-19)26-18(13)23-10-14/h3-10,24H,12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide?
N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide has a molecular weight of 438.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 142493141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).