N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

C23H20N6O3S — CID 156782659

IUPACN-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N6O3S/c1-29-14-17(12-27-29)20-13-25-22-19(20)8-15(10-24-22)16-9-21(23(32-2)26-11-16)28-33(30,31)18-6-4-3-5-7-18/h3-14,28H,1-2H3,(H,24,25)
InChIKeyLYICGWVPKQAWPG-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.83
Rot. Bonds6

About N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 156782659) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID156782659
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC NameN-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N6O3S/c1-29-14-17(12-27-29)20-13-25-22-19(20)8-15(10-24-22)16-9-21(23(32-2)26-11-16)28-33(30,31)18-6-4-3-5-7-18/h3-14,28H,1-2H3,(H,24,25)
InChIKeyLYICGWVPKQAWPG-UHFFFAOYSA-N
XLogP3.83
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 177372142
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 154119487
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
3-(1-benzylpyrazol-4-yl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 72943450
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide
CID 146211948

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (CID 156782659) is N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is LYICGWVPKQAWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-29-14-17(12-27-29)20-13-25-22-19(20)8-15(10-24-22)16-9-21(23(32-2)26-11-16)28-33(30,31)18-6-4-3-5-7-18/h3-14,28H,1-2H3,(H,24,25).
What are the key properties of N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 460.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 156782659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).