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

C40H40F2N8 — CID 58178801

IUPAC2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(CCN2CCn4c(nc(-c5ccc(F)cc5)c4Nc4ccc(C)cc4)C2)C3)cc1
InChIInChI=1S/C40H40F2N8/c1-27-3-15-33(16-4-27)43-39-37(29-7-11-31(41)12-8-29)45-35-25-47(21-23-49(35)39)19-20-48-22-24-50-36(26-48)46-38(30-9-13-32(42)14-10-30)40(50)44-34-17-5-28(2)6-18-34/h3-18,43-44H,19-26H2,1-2H3
InChIKeyGYWRELGMMFWBGP-UHFFFAOYSA-N
MW670.81 g/mol
LogP8.13
Rot. Bonds9

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

2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (PubChem CID 58178801) has the molecular formula C40H40F2N8 and a molecular weight of 670.81 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
PubChem CID58178801
Molecular FormulaC40H40F2N8
Molecular Weight670.81 g/mol
Exact Mass670.33
IUPAC Name2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(CCN2CCn4c(nc(-c5ccc(F)cc5)c4Nc4ccc(C)cc4)C2)C3)cc1
InChIInChI=1S/C40H40F2N8/c1-27-3-15-33(16-4-27)43-39-37(29-7-11-31(41)12-8-29)45-35-25-47(21-23-49(35)39)19-20-48-22-24-50-36(26-48)46-38(30-9-13-32(42)14-10-30)40(50)44-34-17-5-28(2)6-18-34/h3-18,43-44H,19-26H2,1-2H3
InChIKeyGYWRELGMMFWBGP-UHFFFAOYSA-N
XLogP8.13
TPSA66.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.81
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (CID 58178801) is 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(CCN2CCn4c(nc(-c5ccc(F)cc5)c4Nc4ccc(C)cc4)C2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is GYWRELGMMFWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40F2N8/c1-27-3-15-33(16-4-27)43-39-37(29-7-11-31(41)12-8-29)45-35-25-47(21-23-49(35)39)19-20-48-22-24-50-36(26-48)46-38(30-9-13-32(42)14-10-30)40(50)44-34-17-5-28(2)6-18-34/h3-18,43-44H,19-26H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?
2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 670.81 g/mol, XLogP of 8.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[2-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-N-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).