methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate

C15H19N3O2 — CID 117145337

IUPACmethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN3CCCC3)ncc2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3
InChIKeyVKUUGGIQCRZMSG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate

methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117145337) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117145337
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN3CCCC3)ncc2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3
InChIKeyVKUUGGIQCRZMSG-UHFFFAOYSA-N
XLogP1.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
2-[(2-Methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl)methyl]pyridine-4-carboxylic acid
CID 118421371
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
methyl 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-4-carboxylate
CID 44330840
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415
Methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 118723476

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate (CID 117145337) is methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(CCN3CCCC3)ncc2c1.
What is the InChIKey of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is VKUUGGIQCRZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3.
What are the key properties of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).