methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate

C19H24N2O3 — CID 122609671

IUPACmethyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1
InChIInChI=1S/C19H24N2O3/c1-24-18(23)19(8-3-2-4-9-19)17(22)16-14(13-5-6-13)7-10-21-12-20-11-15(16)21/h7,10-13,17,22H,2-6,8-9H2,1H3
InChIKeyRXJWOTRNRGQNMT-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.37
Rot. Bonds4

About methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate

methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate (PubChem CID 122609671) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate
PubChem CID122609671
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1
InChIInChI=1S/C19H24N2O3/c1-24-18(23)19(8-3-2-4-9-19)17(22)16-14(13-5-6-13)7-10-21-12-20-11-15(16)21/h7,10-13,17,22H,2-6,8-9H2,1H3
InChIKeyRXJWOTRNRGQNMT-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate (CID 122609671) is methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate is COC(=O)C1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1.
What is the InChIKey of methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate?
The InChIKey is RXJWOTRNRGQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-18(23)19(8-3-2-4-9-19)17(22)16-14(13-5-6-13)7-10-21-12-20-11-15(16)21/h7,10-13,17,22H,2-6,8-9H2,1H3.
What are the key properties of methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate?
methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 122609671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).