2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine

C27H27FN4O2S — CID 58179147

IUPAC2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(Cc2ccc(S(C)(=O)=O)cc2)C3)cc1
InChIInChI=1S/C27H27FN4O2S/c1-19-3-11-23(12-4-19)29-27-26(21-7-9-22(28)10-8-21)30-25-18-31(15-16-32(25)27)17-20-5-13-24(14-6-20)35(2,33)34/h3-14,29H,15-18H2,1-2H3
InChIKeyFVAVYDVENLYDNQ-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.16
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine

2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (PubChem CID 58179147) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
PubChem CID58179147
Molecular FormulaC27H27FN4O2S
Molecular Weight490.60 g/mol
Exact Mass490.18
IUPAC Name2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(Cc2ccc(S(C)(=O)=O)cc2)C3)cc1
InChIInChI=1S/C27H27FN4O2S/c1-19-3-11-23(12-4-19)29-27-26(21-7-9-22(28)10-8-21)30-25-18-31(15-16-32(25)27)17-20-5-13-24(14-6-20)35(2,33)34/h3-14,29H,15-18H2,1-2H3
InChIKeyFVAVYDVENLYDNQ-UHFFFAOYSA-N
XLogP5.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (CID 58179147) is 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(Cc2ccc(S(C)(=O)=O)cc2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is FVAVYDVENLYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-19-3-11-23(12-4-19)29-27-26(21-7-9-22(28)10-8-21)30-25-18-31(15-16-32(25)27)17-20-5-13-24(14-6-20)35(2,33)34/h3-14,29H,15-18H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 490.60 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methylphenyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58179147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).