4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde

C24H26N2O2 — CID 134382095

IUPAC4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde
SMILESO=Cc1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C24H26N2O2/c27-14-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-13-25-15-26(21)23/h1-4,11-15,18-20,24,28H,5-10H2
InChIKeyBLMBBYZNMHKXFL-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.03
Rot. Bonds5

About 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde

4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde (PubChem CID 134382095) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde
PubChem CID134382095
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde
SMILESO=Cc1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C24H26N2O2/c27-14-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-13-25-15-26(21)23/h1-4,11-15,18-20,24,28H,5-10H2
InChIKeyBLMBBYZNMHKXFL-UHFFFAOYSA-N
XLogP5.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde?
The IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde (CID 134382095) is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde.
What is the SMILES notation for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde?
The canonical SMILES for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde is O=Cc1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1.
What is the InChIKey of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde?
The InChIKey is BLMBBYZNMHKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-14-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-13-25-15-26(21)23/h1-4,11-15,18-20,24,28H,5-10H2.
What are the key properties of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde?
4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde has a molecular weight of 374.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde is sourced from PubChem (CID 134382095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).