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

C14H16N2O2 — CID 117142874

IUPACmethyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C3CCCC3)n12
InChIInChI=1S/C14H16N2O2/c1-18-14(17)12-8-4-7-11-9-15-13(16(11)12)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeyRYHHPCSWMBYQDA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds2

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

methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142874) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142874
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C3CCCC3)n12
InChIInChI=1S/C14H16N2O2/c1-18-14(17)12-8-4-7-11-9-15-13(16(11)12)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeyRYHHPCSWMBYQDA-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
3-cyclobutylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83835843
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142431
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779
3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142621
3-cyclopropylimidazo[1,5-a]pyridine-5-carboximidamide
CID 83880717
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
methyl 3-(1,1-dioxothian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142477

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate (CID 117142874) is methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(C3CCCC3)n12.
What is the InChIKey of methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is RYHHPCSWMBYQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)12-8-4-7-11-9-15-13(16(11)12)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).