(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C26H26N4O3 — CID 87050819

IUPAC(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1
InChIInChI=1S/C26H26N4O3/c1-3-33-22-12-8-19(9-13-22)26(31)29-16-14-20(17-29)30-24(18-6-10-21(32-2)11-7-18)28-23-5-4-15-27-25(23)30/h4-13,15,20H,3,14,16-17H2,1-2H3
InChIKeyCQMGUGOCXRKFEL-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.59
Rot. Bonds6

About (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050819) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050819
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1
InChIInChI=1S/C26H26N4O3/c1-3-33-22-12-8-19(9-13-22)26(31)29-16-14-20(17-29)30-24(18-6-10-21(32-2)11-7-18)28-23-5-4-15-27-25(23)30/h4-13,15,20H,3,14,16-17H2,1-2H3
InChIKeyCQMGUGOCXRKFEL-UHFFFAOYSA-N
XLogP4.59
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Amg 579
CID 59351313
Gsk-269962A
CID 16095342
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(dimethylamino)ethoxy]benzamide
CID 16099848
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-imidazol-4-yl)-pyridin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11248201
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11260078
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050819) is (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CQMGUGOCXRKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-33-22-12-8-19(9-13-22)26(31)29-16-14-20(17-29)30-24(18-6-10-21(32-2)11-7-18)28-23-5-4-15-27-25(23)30/h4-13,15,20H,3,14,16-17H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).