methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate

C13H17N3O2 — CID 117140386

IUPACmethyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(CCN(C)C)n2c1
InChIInChI=1S/C13H17N3O2/c1-15(2)7-6-12-14-8-11-5-4-10(9-16(11)12)13(17)18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyWHFFQGRWKKVYIZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.23
Rot. Bonds4

About methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate

methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117140386) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117140386
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(CCN(C)C)n2c1
InChIInChI=1S/C13H17N3O2/c1-15(2)7-6-12-14-8-11-5-4-10(9-16(11)12)13(17)18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyWHFFQGRWKKVYIZ-UHFFFAOYSA-N
XLogP1.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-methylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140246
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140229
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
CID 117140299
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 12988951
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide
CID 172863021
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256294
methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103558070
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
3-(3-methoxypropyl)imidazo[1,5-a]pyridin-6-amine
CID 117138688
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384807

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate (CID 117140386) is methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2cnc(CCN(C)C)n2c1.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is WHFFQGRWKKVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)7-6-12-14-8-11-5-4-10(9-16(11)12)13(17)18-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117140386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).