cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate

C20H28FN3O3 — CID 144840536

IUPACcyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
SMILESCC.COC(=O)c1ccc(-c2nccnc2N)cc1F.OC1CCCCC1
InChIInChI=1S/C12H10FN3O2.C6H12O.C2H6/c1-18-12(17)8-3-2-7(6-9(8)13)10-11(14)16-5-4-15-10;7-6-4-2-1-3-5-6;1-2/h2-6H,1H3,(H2,14,16);6-7H,1-5H2;1-2H3
InChIKeyPZMUWFXTNXVVMU-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.99
Rot. Bonds2

About cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate

cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate (PubChem CID 144840536) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate.

Molecular Properties

Compound Namecyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
PubChem CID144840536
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Namecyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
SMILESCC.COC(=O)c1ccc(-c2nccnc2N)cc1F.OC1CCCCC1
InChIInChI=1S/C12H10FN3O2.C6H12O.C2H6/c1-18-12(17)8-3-2-7(6-9(8)13)10-11(14)16-5-4-15-10;7-6-4-2-1-3-5-6;1-2/h2-6H,1H3,(H2,14,16);6-7H,1-5H2;1-2H3
InChIKeyPZMUWFXTNXVVMU-UHFFFAOYSA-N
XLogP3.99
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
CID 144840568
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;ethane;methanamine;methoxycyclohexane
CID 144840521
methyl 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoate
CID 118045986
methyl 4-[3-amino-6-(4-amino-4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 123762473
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclopentane;ethane;methanol
CID 144840547
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
4-(3-aminopyrazin-2-yl)-N-[(3-bromo-5-fluorophenyl)methyl]-2-fluorobenzamide;2,2-difluorocyclohexan-1-ol;N-methylmethanamine
CID 144840385
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;1,1-difluoro-2-methylcyclohexane;ethane;methanol
CID 144840498
methyl 4-[2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-2-fluorobenzoate
CID 172739391
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?
The IUPAC name of cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate (CID 144840536) is cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate.
What is the SMILES notation for cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?
The canonical SMILES for cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate is CC.COC(=O)c1ccc(-c2nccnc2N)cc1F.OC1CCCCC1.
What is the InChIKey of cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?
The InChIKey is PZMUWFXTNXVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2.C6H12O.C2H6/c1-18-12(17)8-3-2-7(6-9(8)13)10-11(14)16-5-4-15-10;7-6-4-2-1-3-5-6;1-2/h2-6H,1H3,(H2,14,16);6-7H,1-5H2;1-2H3.
What are the key properties of cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?
cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate has a molecular weight of 377.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate is sourced from PubChem (CID 144840536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).