4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol

C24H24N4O2 — CID 126475307

IUPAC4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)CC1
InChIInChI=1S/C24H24N4O2/c29-18-12-10-17(11-13-18)27-23-24-26-16-21(28(24)15-14-25-23)20-8-4-5-9-22(20)30-19-6-2-1-3-7-19/h1-9,14-18,29H,10-13H2,(H,25,27)
InChIKeyCWMLMXAKFTYATB-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.90
Rot. Bonds5

About 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol

4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol (PubChem CID 126475307) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol
PubChem CID126475307
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)CC1
InChIInChI=1S/C24H24N4O2/c29-18-12-10-17(11-13-18)27-23-24-26-16-21(28(24)15-14-25-23)20-8-4-5-9-22(20)30-19-6-2-1-3-7-19/h1-9,14-18,29H,10-13H2,(H,25,27)
InChIKeyCWMLMXAKFTYATB-UHFFFAOYSA-N
XLogP4.90
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol (CID 126475307) is 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)CC1.
What is the InChIKey of 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol?
The InChIKey is CWMLMXAKFTYATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-18-12-10-17(11-13-18)27-23-24-26-16-21(28(24)15-14-25-23)20-8-4-5-9-22(20)30-19-6-2-1-3-7-19/h1-9,14-18,29H,10-13H2,(H,25,27).
What are the key properties of 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol?
4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol has a molecular weight of 400.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 126475307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).