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

C16H21N3O2 — CID 117130150

IUPACmethyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCN(C)C3)cn2c1
InChIInChI=1S/C16H21N3O2/c1-18-7-3-4-12(9-18)8-14-11-19-10-13(16(20)21-2)5-6-15(19)17-14/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyWQNBVDYGICBUCL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.01
Rot. Bonds3

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

methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117130150) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117130150
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCN(C)C3)cn2c1
InChIInChI=1S/C16H21N3O2/c1-18-7-3-4-12(9-18)8-14-11-19-10-13(16(20)21-2)5-6-15(19)17-14/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyWQNBVDYGICBUCL-UHFFFAOYSA-N
XLogP2.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 117130121
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
2-(aminomethyl)-N-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 155191130
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 117130150) is methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(CC3CCCN(C)C3)cn2c1.
What is the InChIKey of methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is WQNBVDYGICBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-7-3-4-12(9-18)8-14-11-19-10-13(16(20)21-2)5-6-15(19)17-14/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 117130150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).