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

C24H25N3O — CID 134381052

IUPAC4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C24H25N3O/c25-13-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-14-26-15-27(21)23/h1-4,11-12,14-15,18-20,24,28H,5-10H2
InChIKeySIBAVRQADVXNLP-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.09
Rot. Bonds4

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

4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile (PubChem CID 134381052) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile
PubChem CID134381052
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(C(O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C24H25N3O/c25-13-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-14-26-15-27(21)23/h1-4,11-12,14-15,18-20,24,28H,5-10H2
InChIKeySIBAVRQADVXNLP-UHFFFAOYSA-N
XLogP5.09
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-bromophenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134381260
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-phenylcyclohexyl)methanol
CID 134381324
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-phenylphenyl)cyclohexyl]methanol
CID 134381585
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-methoxyphenyl)cyclohexyl]methanol
CID 134381765
(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134328699
3-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenol
CID 134381831
1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
CID 155456102
[4-(3-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134381405
(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-methoxy-2-methylphenyl)cyclohexyl]methanol
CID 142308115
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol
CID 134382111
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol
CID 159040858
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
CID 159435173

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile (CID 134381052) is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile is N#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]benzonitrile?
The InChIKey is SIBAVRQADVXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c25-13-16-1-3-17(4-2-16)18-5-9-20(10-6-18)24(28)23-22(19-7-8-19)12-11-21-14-26-15-27(21)23/h1-4,11-12,14-15,18-20,24,28H,5-10H2.
What are the key properties of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile?
4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile has a molecular weight of 371.48 g/mol, XLogP of 5.09, 4 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]benzonitrile is sourced from PubChem (CID 134381052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).