methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate

C24H29N3O4 — CID 46943561

IUPACmethyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
SMILESCCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccccc3C(=O)OC)cccn12
InChIInChI=1S/C24H29N3O4/c1-6-17(7-2)23(28)26(4)22-16(3)25-21-20(13-10-14-27(21)22)31-15-18-11-8-9-12-19(18)24(29)30-5/h8-14,17H,6-7,15H2,1-5H3
InChIKeyAUFZJTVUOYEOQJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.41
Rot. Bonds8

About methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate

methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate (PubChem CID 46943561) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
PubChem CID46943561
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namemethyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
SMILESCCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccccc3C(=O)OC)cccn12
InChIInChI=1S/C24H29N3O4/c1-6-17(7-2)23(28)26(4)22-16(3)25-21-20(13-10-14-27(21)22)31-15-18-11-8-9-12-19(18)24(29)30-5/h8-14,17H,6-7,15H2,1-5H3
InChIKeyAUFZJTVUOYEOQJ-UHFFFAOYSA-N
XLogP4.41
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate with MolForge

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Related Compounds

methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368363
8-[(4-methoxyphenyl)methoxy]-N,N,2-trimethylimidazo[1,2-a]pyridin-3-amine
CID 57325066
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 18923235
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502
methyl 2-[(3-ethylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoate
CID 123789390
[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
CID 14368360
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
CID 54149611

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate?
The IUPAC name of methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate (CID 46943561) is methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate.
What is the SMILES notation for methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate?
The canonical SMILES for methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate is CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccccc3C(=O)OC)cccn12.
What is the InChIKey of methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate?
The InChIKey is AUFZJTVUOYEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-6-17(7-2)23(28)26(4)22-16(3)25-21-20(13-10-14-27(21)22)31-15-18-11-8-9-12-19(18)24(29)30-5/h8-14,17H,6-7,15H2,1-5H3.
What are the key properties of methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate?
methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate has a molecular weight of 423.51 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[2-ethylbutanoyl(methyl)amino]-2-methylimidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate is sourced from PubChem (CID 46943561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).