[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone

C26H24N4O — CID 10250898

IUPAC[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O/c1-4-23-28-24-17(2)14-18(3)27-25(24)30(23)16-19-10-11-22-21(15-19)12-13-29(22)26(31)20-8-6-5-7-9-20/h5-15H,4,16H2,1-3H3
InChIKeyOMUMLNYJHYDQDZ-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.30
Rot. Bonds4

About [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone

[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone (PubChem CID 10250898) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone
PubChem CID10250898
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O/c1-4-23-28-24-17(2)14-18(3)27-25(24)30(23)16-19-10-11-22-21(15-19)12-13-29(22)26(31)20-8-6-5-7-9-20/h5-15H,4,16H2,1-3H3
InChIKeyOMUMLNYJHYDQDZ-UHFFFAOYSA-N
XLogP5.30
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone?
The IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone (CID 10250898) is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1.
What is the InChIKey of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone?
The InChIKey is OMUMLNYJHYDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-4-23-28-24-17(2)14-18(3)27-25(24)30(23)16-19-10-11-22-21(15-19)12-13-29(22)26(31)20-8-6-5-7-9-20/h5-15H,4,16H2,1-3H3.
What are the key properties of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone?
[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone has a molecular weight of 408.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-phenylmethanone is sourced from PubChem (CID 10250898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).