7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid

C20H27ClFN3O — CID 139366893

IUPAC7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid
SMILESFc1ccc(Cc2ncc3n2CCN(CC2CCCCC2)C3)cc1.OCl
InChIInChI=1S/C20H26FN3.ClHO/c21-18-8-6-16(7-9-18)12-20-22-13-19-15-23(10-11-24(19)20)14-17-4-2-1-3-5-17;1-2/h6-9,13,17H,1-5,10-12,14-15H2;2H
InChIKeyQOXJFLHAXSNXGC-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.14
Rot. Bonds4

About 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid

7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid (PubChem CID 139366893) has the molecular formula C20H27ClFN3O and a molecular weight of 379.91 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid
PubChem CID139366893
Molecular FormulaC20H27ClFN3O
Molecular Weight379.91 g/mol
Exact Mass379.18
IUPAC Name7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid
SMILESFc1ccc(Cc2ncc3n2CCN(CC2CCCCC2)C3)cc1.OCl
InChIInChI=1S/C20H26FN3.ClHO/c21-18-8-6-16(7-9-18)12-20-22-13-19-15-23(10-11-24(19)20)14-17-4-2-1-3-5-17;1-2/h6-9,13,17H,1-5,10-12,14-15H2;2H
InChIKeyQOXJFLHAXSNXGC-UHFFFAOYSA-N
XLogP4.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid?
The IUPAC name of 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid (CID 139366893) is 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid?
The canonical SMILES for 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid is Fc1ccc(Cc2ncc3n2CCN(CC2CCCCC2)C3)cc1.OCl.
What is the InChIKey of 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid?
The InChIKey is QOXJFLHAXSNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3.ClHO/c21-18-8-6-16(7-9-18)12-20-22-13-19-15-23(10-11-24(19)20)14-17-4-2-1-3-5-17;1-2/h6-9,13,17H,1-5,10-12,14-15H2;2H.
What are the key properties of 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid?
7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid has a molecular weight of 379.91 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid is sourced from PubChem (CID 139366893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).