methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate

C32H39N3O3 — CID 67793519

IUPACmethyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OCc1ccccc1C(=O)OC
InChIInChI=1S/C32H39N3O3/c1-7-12-24-17-23(19-35-28(9-3)34-29-21(4)16-22(5)33-31(29)35)18-25(13-8-2)30(24)38-20-26-14-10-11-15-27(26)32(36)37-6/h10-11,14-18H,7-9,12-13,19-20H2,1-6H3
InChIKeyVKIBKTGFQRCZPV-UHFFFAOYSA-N
MW513.68 g/mol
LogP6.93
Rot. Bonds11

About methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate

methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate (PubChem CID 67793519) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate
PubChem CID67793519
Molecular FormulaC32H39N3O3
Molecular Weight513.68 g/mol
Exact Mass513.30
IUPAC Namemethyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OCc1ccccc1C(=O)OC
InChIInChI=1S/C32H39N3O3/c1-7-12-24-17-23(19-35-28(9-3)34-29-21(4)16-22(5)33-31(29)35)18-25(13-8-2)30(24)38-20-26-14-10-11-15-27(26)32(36)37-6/h10-11,14-18H,7-9,12-13,19-20H2,1-6H3
InChIKeyVKIBKTGFQRCZPV-UHFFFAOYSA-N
XLogP6.93
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate with MolForge

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Related Compounds

methyl 2-[[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6-methoxyphenoxy]methyl]benzoate
CID 67793482
methyl 3-[[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]-2-methylbenzoate
CID 67793659
2-chloro-3-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]benzoic acid
CID 67794000
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-2-(4-methoxyphenyl)acetic acid
CID 19010502
methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]benzoate
CID 139659527
3-[[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]-2-methylbenzoic acid
CID 67792964
3-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]-2-(trifluoromethyl)benzoic acid
CID 67793099
methyl 2-[3-(3,3-dimethylbut-1-ynyl)-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indazol-2-yl]benzoate
CID 139663499
2-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]methyl]benzoic acid
CID 10048776
methyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-fluoroprop-2-enoate
CID 69005640
2-(2-carboxyphenyl)-6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinoline-4-carboxylic acid
CID 22370563
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate?
The IUPAC name of methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate (CID 67793519) is methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate is CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate?
The InChIKey is VKIBKTGFQRCZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3/c1-7-12-24-17-23(19-35-28(9-3)34-29-21(4)16-22(5)33-31(29)35)18-25(13-8-2)30(24)38-20-26-14-10-11-15-27(26)32(36)37-6/h10-11,14-18H,7-9,12-13,19-20H2,1-6H3.
What are the key properties of methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate?
methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate has a molecular weight of 513.68 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate is sourced from PubChem (CID 67793519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).