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

C25H28N2O2 — CID 134381287

IUPAC1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C25H28N2O2/c1-16(28)17-2-4-18(5-3-17)19-6-10-21(11-7-19)25(29)24-23(20-8-9-20)13-12-22-14-26-15-27(22)24/h2-5,12-15,19-21,25,29H,6-11H2,1H3
InChIKeyIPDRGYAJRSRLCI-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.42
Rot. Bonds5

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

1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone (PubChem CID 134381287) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone
PubChem CID134381287
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C25H28N2O2/c1-16(28)17-2-4-18(5-3-17)19-6-10-21(11-7-19)25(29)24-23(20-8-9-20)13-12-22-14-26-15-27(22)24/h2-5,12-15,19-21,25,29H,6-11H2,1H3
InChIKeyIPDRGYAJRSRLCI-UHFFFAOYSA-N
XLogP5.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone (CID 134381287) is 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone is CC(=O)c1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone?
The InChIKey is IPDRGYAJRSRLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16(28)17-2-4-18(5-3-17)19-6-10-21(11-7-19)25(29)24-23(20-8-9-20)13-12-22-14-26-15-27(22)24/h2-5,12-15,19-21,25,29H,6-11H2,1H3.
What are the key properties of 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone?
1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone has a molecular weight of 388.51 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]ethanone is sourced from PubChem (CID 134381287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).