2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C9H12N6O2S — CID 122687745

IUPAC2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(\N)c1ccnc2nc(C(N)S(C)(=O)=O)[nH]c12
InChIInChI=1S/C9H12N6O2S/c1-18(16,17)7(12)9-14-5-4(6(10)11)2-3-13-8(5)15-9/h2-3,7H,12H2,1H3,(H3,10,11)(H,13,14,15)
InChIKeyHWVZUWGBOVWDGE-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.76
Rot. Bonds3

About 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122687745) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound Name2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122687745
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(\N)c1ccnc2nc(C(N)S(C)(=O)=O)[nH]c12
InChIInChI=1S/C9H12N6O2S/c1-18(16,17)7(12)9-14-5-4(6(10)11)2-3-13-8(5)15-9/h2-3,7H,12H2,1H3,(H3,10,11)(H,13,14,15)
InChIKeyHWVZUWGBOVWDGE-UHFFFAOYSA-N
XLogP-0.76
TPSA151.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
2-[(3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 58177456
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69809726
N-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811602
N-[(3S,5S)-5-methyl-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811936
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
(1H-Imidazo(4,5-B)Pyridin-2-Yl)Methanamine
CID 17747911
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
CID 778306
2-(4-Methyl-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
CID 571253
2-(3-Fluoro-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
CID 573334
Pyrimidine, 2-methyl-4-amino-5-(benzimidazol-2-ylthiomethyl)-
CID 579089

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122687745) is 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(\N)c1ccnc2nc(C(N)S(C)(=O)=O)[nH]c12.
What is the InChIKey of 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is HWVZUWGBOVWDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-18(16,17)7(12)9-14-5-4(6(10)11)2-3-13-8(5)15-9/h2-3,7H,12H2,1H3,(H3,10,11)(H,13,14,15).
What are the key properties of 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 268.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122687745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).