methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

C13H14ClN3O2 — CID 117253063

IUPACmethyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2c(Cl)cccc12
InChIInChI=1S/C13H14ClN3O2/c1-19-13(18)11-9-5-2-6-10(14)17(9)12(16-11)8-4-3-7-15-8/h2,5-6,8,15H,3-4,7H2,1H3
InChIKeyBBBUPRQDDYXBGL-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.20
Rot. Bonds2

About methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253063) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253063
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Namemethyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2c(Cl)cccc12
InChIInChI=1S/C13H14ClN3O2/c1-19-13(18)11-9-5-2-6-10(14)17(9)12(16-11)8-4-3-7-15-8/h2,5-6,8,15H,3-4,7H2,1H3
InChIKeyBBBUPRQDDYXBGL-UHFFFAOYSA-N
XLogP2.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253065
methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253657
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252948
methyl 3-(azepan-3-yl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252914
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-amine
CID 117253057
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol
CID 117253049
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
5-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252965
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117131974

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (CID 117253063) is methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCN2)n2c(Cl)cccc12.
What is the InChIKey of methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is BBBUPRQDDYXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-13(18)11-9-5-2-6-10(14)17(9)12(16-11)8-4-3-7-15-8/h2,5-6,8,15H,3-4,7H2,1H3.
What are the key properties of methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 279.73 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).