4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride

C25H24ClN7O2S — CID 23296474

IUPAC4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CCc2nc3ncc(NS(=O)(=O)c4cccc5cccnc45)cc3n2C)cc1
InChIInChI=1S/C25H23N7O2S.ClH/c1-32-20-14-19(31-35(33,34)21-6-2-4-17-5-3-13-28-23(17)21)15-29-25(20)30-22(32)12-9-16-7-10-18(11-8-16)24(26)27;/h2-8,10-11,13-15,31H,9,12H2,1H3,(H3,26,27);1H
InChIKeyXPWJMAZBDLDGHU-UHFFFAOYSA-N
MW522.03 g/mol
LogP3.81
Rot. Bonds7

About 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride

4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride (PubChem CID 23296474) has the molecular formula C25H24ClN7O2S and a molecular weight of 522.03 g/mol. Its IUPAC name is 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
PubChem CID23296474
Molecular FormulaC25H24ClN7O2S
Molecular Weight522.03 g/mol
Exact Mass521.14
IUPAC Name4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CCc2nc3ncc(NS(=O)(=O)c4cccc5cccnc45)cc3n2C)cc1
InChIInChI=1S/C25H23N7O2S.ClH/c1-32-20-14-19(31-35(33,34)21-6-2-4-17-5-3-13-28-23(17)21)15-29-25(20)30-22(32)12-9-16-7-10-18(11-8-16)24(26)27;/h2-8,10-11,13-15,31H,9,12H2,1H3,(H3,26,27);1H
InChIKeyXPWJMAZBDLDGHU-UHFFFAOYSA-N
XLogP3.81
TPSA139.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 23302532
[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-3-yl] N-(4-carbamimidoylphenyl)carbamate;hydrochloride
CID 70065019
ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]acetate
CID 23296501
4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
CID 23302369
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302796
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302565
4-[3-[6-(isoquinolin-5-ylsulfonylamino)-1-methylindol-3-yl]-3-oxopropyl]benzenecarboximidamide;hydrochloride
CID 70063609
4-[[1-methyl-5-(pyridin-3-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
CID 10873499
4-quinolin-8-ylsulfonylbenzenecarboximidamide
CID 57159416
methyl 2-[[1-[3-(4-carbamimidoylphenyl)propyl]-2,3-dimethylindol-5-yl]amino]-2-quinolin-8-ylsulfonylacetate;hydroiodide
CID 70065928
2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 23302333
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride (CID 23296474) is 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(CCc2nc3ncc(NS(=O)(=O)c4cccc5cccnc45)cc3n2C)cc1.
What is the InChIKey of 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is XPWJMAZBDLDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2S.ClH/c1-32-20-14-19(31-35(33,34)21-6-2-4-17-5-3-13-28-23(17)21)15-29-25(20)30-22(32)12-9-16-7-10-18(11-8-16)24(26)27;/h2-8,10-11,13-15,31H,9,12H2,1H3,(H3,26,27);1H.
What are the key properties of 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride?
4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride has a molecular weight of 522.03 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 23296474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).