(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone

C18H18N4O2 — CID 138024142

IUPAC(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3Cc4cccc(OC)c4C3)c2[nH]1
InChIInChI=1S/C18H18N4O2/c1-3-15-20-16-12(7-8-19-17(16)21-15)18(23)22-9-11-5-4-6-14(24-2)13(11)10-22/h4-8H,3,9-10H2,1-2H3,(H,19,20,21)
InChIKeyXUANCPRTGPJXPQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.68
Rot. Bonds3

About (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone

(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 138024142) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
PubChem CID138024142
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3Cc4cccc(OC)c4C3)c2[nH]1
InChIInChI=1S/C18H18N4O2/c1-3-15-20-16-12(7-8-19-17(16)21-15)18(23)22-9-11-5-4-6-14(24-2)13(11)10-22/h4-8H,3,9-10H2,1-2H3,(H,19,20,21)
InChIKeyXUANCPRTGPJXPQ-UHFFFAOYSA-N
XLogP2.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
3-amino-1-(4-methoxy-1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 23091965
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 138619078
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 136522334
methyl 2-[(2-acetyl-1,3-dihydroisoindol-4-yl)oxy]acetate
CID 20754795
(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 138031514
2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
CID 66890985
ethyl 2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitropyridine-4-carboxylate
CID 133450637
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-7-yl)methanone
CID 38448028
(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 156525322
[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 167835801
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone (CID 138024142) is (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone is CCc1nc2nccc(C(=O)N3Cc4cccc(OC)c4C3)c2[nH]1.
What is the InChIKey of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is XUANCPRTGPJXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-15-20-16-12(7-8-19-17(16)21-15)18(23)22-9-11-5-4-6-14(24-2)13(11)10-22/h4-8H,3,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 138024142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).