2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol

C18H22N2O — CID 122609483

IUPAC2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c21-18(15-8-11-1-2-13(15)7-11)17-14(12-3-4-12)5-6-20-10-19-9-16(17)20/h5-6,9-13,15,18,21H,1-4,7-8H2
InChIKeyAYNGHFYFVHELEJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.68
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol

2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol (PubChem CID 122609483) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
PubChem CID122609483
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c21-18(15-8-11-1-2-13(15)7-11)17-14(12-3-4-12)5-6-20-10-19-9-16(17)20/h5-6,9-13,15,18,21H,1-4,7-8H2
InChIKeyAYNGHFYFVHELEJ-UHFFFAOYSA-N
XLogP3.68
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol (CID 122609483) is 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol is OC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The InChIKey is AYNGHFYFVHELEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(15-8-11-1-2-13(15)7-11)17-14(12-3-4-12)5-6-20-10-19-9-16(17)20/h5-6,9-13,15,18,21H,1-4,7-8H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol has a molecular weight of 282.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol is sourced from PubChem (CID 122609483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).