1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone

C23H22N4O — CID 1437874

IUPAC1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
InChIInChI=1S/C23H22N4O/c1-14-21(24)12-22-23(25-14)27(16(3)26-22)13-17-4-6-19(7-5-17)20-10-8-18(9-11-20)15(2)28/h4-12H,13,24H2,1-3H3
InChIKeyOCEBEYZKSLTKGZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.55
Rot. Bonds4

About 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone

1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone (PubChem CID 1437874) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone
PubChem CID1437874
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
InChIInChI=1S/C23H22N4O/c1-14-21(24)12-22-23(25-14)27(16(3)26-22)13-17-4-6-19(7-5-17)20-10-8-18(9-11-20)15(2)28/h4-12H,13,24H2,1-3H3
InChIKeyOCEBEYZKSLTKGZ-UHFFFAOYSA-N
XLogP4.55
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone (CID 1437874) is 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone?
The InChIKey is OCEBEYZKSLTKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14-21(24)12-22-23(25-14)27(16(3)26-22)13-17-4-6-19(7-5-17)20-10-8-18(9-11-20)15(2)28/h4-12H,13,24H2,1-3H3.
What are the key properties of 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone?
1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone has a molecular weight of 370.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 1437874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).