2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

C15H16Cl2N4O — CID 67867992

IUPAC2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)CN)cc1.Cl.Cl
InChIInChI=1S/C15H14N4O.2ClH/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16;;/h2-7,9H,8,16H2,1H3;2*1H
InChIKeyAIBJJOWUZDYCPS-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride (PubChem CID 67867992) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
PubChem CID67867992
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)CN)cc1.Cl.Cl
InChIInChI=1S/C15H14N4O.2ClH/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16;;/h2-7,9H,8,16H2,1H3;2*1H
InChIKeyAIBJJOWUZDYCPS-UHFFFAOYSA-N
XLogP2.71
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
CID 70185760
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
CID 57188942
ethyl (E)-3-hydroxy-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-nitrosoprop-2-enoate
CID 135455657
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
CID 67869197
2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide
CID 54443356
ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
CID 54229802
N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]benzamide
CID 57320039
dimethyl 2-[2-(2-amino-4,5-dichlorophenyl)-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]propanedioate
CID 10075593
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517
1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one
CID 67946247
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride (CID 67867992) is 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride is Cc1nc2cnccc2n1-c1ccc(C(=O)CN)cc1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride?
The InChIKey is AIBJJOWUZDYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.2ClH/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16;;/h2-7,9H,8,16H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride?
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride has a molecular weight of 339.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride is sourced from PubChem (CID 67867992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).