4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane

C24H30BrF5N4 — CID 143807608

About 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane

4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane (PubChem CID 143807608) has the molecular formula C24H30BrF5N4 and a molecular weight of 549.43 g/mol. Its IUPAC name is 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane.

Molecular Properties

• Compound Name: 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane
• PubChem CID: 143807608
• Molecular Formula: C24H30BrF5N4
• Molecular Weight: 549.43 g/mol
• Exact Mass: 548.16
• IUPAC Name: 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane
• SMILES: C=C(C)NC(CC(=C)N1CCn2c(C(F)(F)F)nc(Br)c2C1)Cc1cc(F)c(C)cc1F.CC
• InChI: InChI=1S/C22H24BrF5N4.C2H6/c1-12(2)29-16(9-15-10-17(24)13(3)7-18(15)25)8-14(4)31-5-6-32-19(11-31)20(23)30-21(32)22(26,27)28;1-2/h7,10,16,29H,1,4-6,8-9,11H2,2-3H3;1-2H3
• InChIKey: KXWQGWCOAXUOFJ-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.43
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane?

The IUPAC name of 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane (CID 143807608) is 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane.

What is the SMILES notation for 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane?

The canonical SMILES for 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane is C=C(C)NC(CC(=C)N1CCn2c(C(F)(F)F)nc(Br)c2C1)Cc1cc(F)c(C)cc1F.CC.

What is the InChIKey of 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane?

The InChIKey is KXWQGWCOAXUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrF5N4.C2H6/c1-12(2)29-16(9-15-10-17(24)13(3)7-18(15)25)8-14(4)31-5-6-32-19(11-31)20(23)30-21(32)22(26,27)28;1-2/h7,10,16,29H,1,4-6,8-9,11H2,2-3H3;1-2H3.

What are the key properties of 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane?

4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane has a molecular weight of 549.43 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,5-difluoro-4-methylphenyl)-N-prop-1-en-2-ylpent-4-en-2-amine;ethane is sourced from PubChem (CID 143807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).