methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate

C16H21N3O2 — CID 117147463

IUPACmethyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCN(C)CC3)ncc12
InChIInChI=1S/C16H21N3O2/c1-18-8-5-12(6-9-18)10-15-17-11-14-13(16(20)21-2)4-3-7-19(14)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyGBWLUFUAIZAPPZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.01
Rot. Bonds3

About methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate

methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117147463) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117147463
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCN(C)CC3)ncc12
InChIInChI=1S/C16H21N3O2/c1-18-8-5-12(6-9-18)10-15-17-11-14-13(16(20)21-2)4-3-7-19(14)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyGBWLUFUAIZAPPZ-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

methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147437
methyl 3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147575
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147434
methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117147526
8-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117145486
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147381
3-ethylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83829474
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147425
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate (CID 117147463) is methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CC3CCN(C)CC3)ncc12.
What is the InChIKey of methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is GBWLUFUAIZAPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-8-5-12(6-9-18)10-15-17-11-14-13(16(20)21-2)4-3-7-19(14)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-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 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).