methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate

C16H22N2O2 — CID 175739428

IUPACmethyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCC(CCC)c1cn2cc(C(=O)OC)ccc2n1
InChIInChI=1S/C16H22N2O2/c1-4-6-12(7-5-2)14-11-18-10-13(16(19)20-3)8-9-15(18)17-14/h8-12H,4-7H2,1-3H3
InChIKeyFMPPGMFCCGSIRO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.80
Rot. Bonds6

About methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 175739428) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID175739428
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCC(CCC)c1cn2cc(C(=O)OC)ccc2n1
InChIInChI=1S/C16H22N2O2/c1-4-6-12(7-5-2)14-11-18-10-13(16(19)20-3)8-9-15(18)17-14/h8-12H,4-7H2,1-3H3
InChIKeyFMPPGMFCCGSIRO-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384750
methyl 2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117130150
methyl 4-(2-propylpentanoyl)benzoate
CID 146011083
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 4-[1-(4-methylphenyl)pentan-2-yl]benzoate
CID 70909503

Frequently Asked Questions

What is the IUPAC name of methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate (CID 175739428) is methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate is CCCC(CCC)c1cn2cc(C(=O)OC)ccc2n1.
What is the InChIKey of methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is FMPPGMFCCGSIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-6-12(7-5-2)14-11-18-10-13(16(19)20-3)8-9-15(18)17-14/h8-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 175739428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).