methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate

C12H12N2O2 — CID 117142870

IUPACmethyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C3CC3)n12
InChIInChI=1S/C12H12N2O2/c1-16-12(15)10-4-2-3-9-7-13-11(14(9)10)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyLDHWJXHFWNYSQJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

About methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate

methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142870) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142870
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C3CC3)n12
InChIInChI=1S/C12H12N2O2/c1-16-12(15)10-4-2-3-9-7-13-11(14(9)10)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyLDHWJXHFWNYSQJ-UHFFFAOYSA-N
XLogP2.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
Benzyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 118706489
methyl 4-(1H-imidazo[4,5-c]pyridin-1-ylmethyl)benzoate
CID 852091
Methyl 4,10-dimethyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 25025676

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate (CID 117142870) is methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(C3CC3)n12.
What is the InChIKey of methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is LDHWJXHFWNYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)10-4-2-3-9-7-13-11(14(9)10)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).