N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine

C24H26ClF2N5 — CID 123912007

About N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine

N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (PubChem CID 123912007) has the molecular formula C24H26ClF2N5 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

• Compound Name: N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
• PubChem CID: 123912007
• Molecular Formula: C24H26ClF2N5
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.18
• IUPAC Name: N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
• SMILES: C=C(N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1)C(C)(C)NC
• InChI: InChI=1S/C24H26ClF2N5/c1-15(24(2,3)28-4)31-11-12-32-21(14-31)30-22(16-5-7-17(26)8-6-16)23(32)29-18-9-10-19(25)20(27)13-18/h5-10,13,28-29H,1,11-12,14H2,2-4H3
• InChIKey: CUNFNUBXNFEJNV-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 45.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?

The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine (CID 123912007) is N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine.

What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?

The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is C=C(N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1)C(C)(C)NC.

What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?

The InChIKey is CUNFNUBXNFEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5/c1-15(24(2,3)28-4)31-11-12-32-21(14-31)30-22(16-5-7-17(26)8-6-16)23(32)29-18-9-10-19(25)20(27)13-18/h5-10,13,28-29H,1,11-12,14H2,2-4H3.

What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine?

N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 457.96 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 123912007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).