methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate

C26H27N3O2 — CID 150114158

IUPACmethyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
SMILESCCCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C26H27N3O2/c1-6-9-23-28-24-17(3)16(2)18(4)27-25(24)29(23)20-14-12-19(13-15-20)21-10-7-8-11-22(21)26(30)31-5/h7-8,10-15H,6,9H2,1-5H3
InChIKeyDXWSDFPDMFWZNY-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.75
Rot. Bonds5

About methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate

methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate (PubChem CID 150114158) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
PubChem CID150114158
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Namemethyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
SMILESCCCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C26H27N3O2/c1-6-9-23-28-24-17(3)16(2)18(4)27-25(24)29(23)20-14-12-19(13-15-20)21-10-7-8-11-22(21)26(30)31-5/h7-8,10-15H,6,9H2,1-5H3
InChIKeyDXWSDFPDMFWZNY-UHFFFAOYSA-N
XLogP5.75
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
CID 67713987
methyl 2-[4-[(6-chloro-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoate
CID 21464282
2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 70075216
methyl 2-[[5-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)indol-1-yl]methyl]benzoate
CID 139617878
methyl 2-butyl-3-[4-[2-[(2-ethoxy-2-oxoethyl)amino]phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67564925
2-[4-(2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoic acid
CID 151403557
methyl 2-[4-[(5-formyl-2-propylimidazol-1-yl)methyl]phenyl]benzoate
CID 11035827
sodium 2-[4-[(5-methoxycarbonyl-2-propyl-4H-pyrrolo[2,3-d]imidazol-3-yl)methyl]phenyl]benzoate
CID 53323217
methyl 2-ethoxy-3-[4-[2-(C-ethoxy-N-methoxycarbonylcarbonimidoyl)phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67616092
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
methyl 2-[4-[(4,5-dicyano-2-methylimidazol-1-yl)methyl]phenyl]benzoate
CID 16679785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The IUPAC name of methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate (CID 150114158) is methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate.
What is the SMILES notation for methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The canonical SMILES for methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate is CCCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The InChIKey is DXWSDFPDMFWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-6-9-23-28-24-17(3)16(2)18(4)27-25(24)29(23)20-14-12-19(13-15-20)21-10-7-8-11-22(21)26(30)31-5/h7-8,10-15H,6,9H2,1-5H3.
What are the key properties of methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate has a molecular weight of 413.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate is sourced from PubChem (CID 150114158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).