methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate

C15H18N2O2 — CID 117147778

IUPACmethyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(C3CCCCC3)ncc12
InChIInChI=1S/C15H18N2O2/c1-19-15(18)12-8-5-9-17-13(12)10-16-14(17)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyZUZWPEVINVCAKN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.17
Rot. Bonds2

About methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate

methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117147778) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117147778
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(C3CCCCC3)ncc12
InChIInChI=1S/C15H18N2O2/c1-19-15(18)12-8-5-9-17-13(12)10-16-14(17)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyZUZWPEVINVCAKN-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117147526
3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147415
methyl 3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147575
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147463
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147381
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147480
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147437
(3-cyclohexylimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83840214
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147552
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147397

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate (CID 117147778) is methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(C3CCCCC3)ncc12.
What is the InChIKey of methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is ZUZWPEVINVCAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15(18)12-8-5-9-17-13(12)10-16-14(17)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).