cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol

C34H44N4O2 — CID 138612198

IUPACcyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol
SMILESC=C(C)c1ccc2cncn2c1C(O)C1CCC(CC(C)c2ccc3cncn3c2C(O)C2CCCCC2)CC1
InChIInChI=1S/C34H44N4O2/c1-22(2)29-15-13-27-18-35-20-37(27)31(29)34(40)26-11-9-24(10-12-26)17-23(3)30-16-14-28-19-36-21-38(28)32(30)33(39)25-7-5-4-6-8-25/h13-16,18-21,23-26,33-34,39-40H,1,4-12,17H2,2-3H3
InChIKeyHEHKKJGUIWLONB-UHFFFAOYSA-N
MW540.75 g/mol
LogP7.66
Rot. Bonds8

About cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol

cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol (PubChem CID 138612198) has the molecular formula C34H44N4O2 and a molecular weight of 540.75 g/mol. Its IUPAC name is cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol
PubChem CID138612198
Molecular FormulaC34H44N4O2
Molecular Weight540.75 g/mol
Exact Mass540.35
IUPAC Namecyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol
SMILESC=C(C)c1ccc2cncn2c1C(O)C1CCC(CC(C)c2ccc3cncn3c2C(O)C2CCCCC2)CC1
InChIInChI=1S/C34H44N4O2/c1-22(2)29-15-13-27-18-35-20-37(27)31(29)34(40)26-11-9-24(10-12-26)17-23(3)30-16-14-28-19-36-21-38(28)32(30)33(39)25-7-5-4-6-8-25/h13-16,18-21,23-26,33-34,39-40H,1,4-12,17H2,2-3H3
InChIKeyHEHKKJGUIWLONB-UHFFFAOYSA-N
XLogP7.66
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol (CID 138612198) is cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol is C=C(C)c1ccc2cncn2c1C(O)C1CCC(CC(C)c2ccc3cncn3c2C(O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is HEHKKJGUIWLONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O2/c1-22(2)29-15-13-27-18-35-20-37(27)31(29)34(40)26-11-9-24(10-12-26)17-23(3)30-16-14-28-19-36-21-38(28)32(30)33(39)25-7-5-4-6-8-25/h13-16,18-21,23-26,33-34,39-40H,1,4-12,17H2,2-3H3.
What are the key properties of cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol?
cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 540.75 g/mol, XLogP of 7.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 138612198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).