methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate

C21H18N2O3 — CID 51359036

IUPACmethyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C21H18N2O3/c1-14-5-7-15(8-6-14)12-17-20(18-4-3-11-26-18)22-19-10-9-16(13-23(17)19)21(24)25-2/h3-11,13H,12H2,1-2H3
InChIKeyRQYMGCSESFRMBS-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.28
Rot. Bonds4

About methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359036) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359036
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C21H18N2O3/c1-14-5-7-15(8-6-14)12-17-20(18-4-3-11-26-18)22-19-10-9-16(13-23(17)19)21(24)25-2/h3-11,13H,12H2,1-2H3
InChIKeyRQYMGCSESFRMBS-UHFFFAOYSA-N
XLogP4.28
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid
CID 117629741
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
(E)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 121269564

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359036) is methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(C)cc3)n2c1.
What is the InChIKey of methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is RQYMGCSESFRMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-5-7-15(8-6-14)12-17-20(18-4-3-11-26-18)22-19-10-9-16(13-23(17)19)21(24)25-2/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).