cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone

C24H28FN5O — CID 155535821

IUPACcyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C24H28FN5O/c25-20-9-7-18(8-10-20)21-17-30-14-11-22(27-24(30)26-21)28-12-4-13-29(16-15-28)23(31)19-5-2-1-3-6-19/h7-11,14,17,19H,1-6,12-13,15-16H2
InChIKeyXQORONRWGPZGQX-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.15
Rot. Bonds3

About cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone

cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone (PubChem CID 155535821) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
PubChem CID155535821
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Namecyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C24H28FN5O/c25-20-9-7-18(8-10-20)21-17-30-14-11-22(27-24(30)26-21)28-12-4-13-29(16-15-28)23(31)19-5-2-1-3-6-19/h7-11,14,17,19H,1-6,12-13,15-16H2
InChIKeyXQORONRWGPZGQX-UHFFFAOYSA-N
XLogP4.15
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone 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-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone (CID 155535821) is cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone is O=C(C1CCCCC1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1.
What is the InChIKey of cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
The InChIKey is XQORONRWGPZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c25-20-9-7-18(8-10-20)21-17-30-14-11-22(27-24(30)26-21)28-12-4-13-29(16-15-28)23(31)19-5-2-1-3-6-19/h7-11,14,17,19H,1-6,12-13,15-16H2.
What are the key properties of cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone?
cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone has a molecular weight of 421.52 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 155535821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).