5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one

C17H16N4O — CID 157017391

IUPAC5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one
SMILESCCc1nc2ncc(-c3ccc4c(c3)CN(C)C4=O)cc2[nH]1
InChIInChI=1S/C17H16N4O/c1-3-15-19-14-7-11(8-18-16(14)20-15)10-4-5-13-12(6-10)9-21(2)17(13)22/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyXDEVCIAHXWOGQZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.77
Rot. Bonds2

About 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one

5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 157017391) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one
PubChem CID157017391
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one
SMILESCCc1nc2ncc(-c3ccc4c(c3)CN(C)C4=O)cc2[nH]1
InChIInChI=1S/C17H16N4O/c1-3-15-19-14-7-11(8-18-16(14)20-15)10-4-5-13-12(6-10)9-21(2)17(13)22/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyXDEVCIAHXWOGQZ-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one (CID 157017391) is 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one is CCc1nc2ncc(-c3ccc4c(c3)CN(C)C4=O)cc2[nH]1.
What is the InChIKey of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is XDEVCIAHXWOGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-15-19-14-7-11(8-18-16(14)20-15)10-4-5-13-12(6-10)9-21(2)17(13)22/h4-8H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one?
5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 292.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 157017391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).