N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine

C23H27FN4 — CID 58179146

IUPACN-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESCCCCCc1ccc(-c2nc3n(c2Nc2ccc(F)cc2)CCNC3)cc1
InChIInChI=1S/C23H27FN4/c1-2-3-4-5-17-6-8-18(9-7-17)22-23(26-20-12-10-19(24)11-13-20)28-15-14-25-16-21(28)27-22/h6-13,25-26H,2-5,14-16H2,1H3
InChIKeySBFOHFWITUPNCF-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.27
Rot. Bonds7

About N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine

N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (PubChem CID 58179146) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
PubChem CID58179146
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC NameN-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESCCCCCc1ccc(-c2nc3n(c2Nc2ccc(F)cc2)CCNC3)cc1
InChIInChI=1S/C23H27FN4/c1-2-3-4-5-17-6-8-18(9-7-17)22-23(26-20-12-10-19(24)11-13-20)28-15-14-25-16-21(28)27-22/h6-13,25-26H,2-5,14-16H2,1H3
InChIKeySBFOHFWITUPNCF-UHFFFAOYSA-N
XLogP5.27
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (CID 58179146) is N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is CCCCCc1ccc(-c2nc3n(c2Nc2ccc(F)cc2)CCNC3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is SBFOHFWITUPNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c1-2-3-4-5-17-6-8-18(9-7-17)22-23(26-20-12-10-19(24)11-13-20)28-15-14-25-16-21(28)27-22/h6-13,25-26H,2-5,14-16H2,1H3.
What are the key properties of N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 378.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).