N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C11H12N6O2S — CID 79531355

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H12N6O2S/c12-10-7(4-15-17-10)5-16-20(18,19)9-6-14-11-8(9)2-1-3-13-11/h1-4,6,16H,5H2,(H,13,14)(H3,12,15,17)
InChIKeyYUVLYGFAEXJIQR-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.35
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 79531355) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID79531355
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H12N6O2S/c12-10-7(4-15-17-10)5-16-20(18,19)9-6-14-11-8(9)2-1-3-13-11/h1-4,6,16H,5H2,(H,13,14)(H3,12,15,17)
InChIKeyYUVLYGFAEXJIQR-UHFFFAOYSA-N
XLogP0.35
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 79531474
N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 99621533
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 79531355) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Nc1[nH]ncc1CNS(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is YUVLYGFAEXJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c12-10-7(4-15-17-10)5-16-20(18,19)9-6-14-11-8(9)2-1-3-13-11/h1-4,6,16H,5H2,(H,13,14)(H3,12,15,17).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 79531355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).