1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone

C39H28BrF3N10O — CID 143460933

IUPAC1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(NCc3cccnc3)nc(-c3cccc(-c4nc5c(NCc6ccc(C(F)(F)F)nc6)nc(-c6ccccc6)cn5c4Br)c3)cn12
InChIInChI=1S/C39H28BrF3N10O/c1-23(54)31-20-48-37-35(46-18-24-7-6-14-44-16-24)50-30(21-52(31)37)27-10-5-11-28(15-27)33-34(40)53-22-29(26-8-3-2-4-9-26)49-36(38(53)51-33)47-19-25-12-13-32(45-17-25)39(41,42)43/h2-17,20-22H,18-19H2,1H3,(H,46,50)(H,47,49)
InChIKeyKGHLCORCASOOOQ-UHFFFAOYSA-N
MW789.62 g/mol
LogP8.77
Rot. Bonds10

About 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone

1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone (PubChem CID 143460933) has the molecular formula C39H28BrF3N10O and a molecular weight of 789.62 g/mol. Its IUPAC name is 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone
PubChem CID143460933
Molecular FormulaC39H28BrF3N10O
Molecular Weight789.62 g/mol
Exact Mass788.16
IUPAC Name1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(NCc3cccnc3)nc(-c3cccc(-c4nc5c(NCc6ccc(C(F)(F)F)nc6)nc(-c6ccccc6)cn5c4Br)c3)cn12
InChIInChI=1S/C39H28BrF3N10O/c1-23(54)31-20-48-37-35(46-18-24-7-6-14-44-16-24)50-30(21-52(31)37)27-10-5-11-28(15-27)33-34(40)53-22-29(26-8-3-2-4-9-26)49-36(38(53)51-33)47-19-25-12-13-32(45-17-25)39(41,42)43/h2-17,20-22H,18-19H2,1H3,(H,46,50)(H,47,49)
InChIKeyKGHLCORCASOOOQ-UHFFFAOYSA-N
XLogP8.77
TPSA127.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.62
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone with MolForge

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
US9981944, Example 84
CID 122478437
US9981944, Example 18
CID 122478441
US9981944, Example 29
CID 122478447
Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
US9981944, Example 88
CID 122478514
US9981944, Example 90
CID 122478536
US9981944, Example 85
CID 122478546
US9981944, Example 68
CID 122478560
US9981944, Example 69
CID 122478608
US9884868, Example 272''
CID 122510459
US9884868, Example 294''
CID 122510828

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone?
The IUPAC name of 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone (CID 143460933) is 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone?
The canonical SMILES for 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone is CC(=O)c1cnc2c(NCc3cccnc3)nc(-c3cccc(-c4nc5c(NCc6ccc(C(F)(F)F)nc6)nc(-c6ccccc6)cn5c4Br)c3)cn12.
What is the InChIKey of 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone?
The InChIKey is KGHLCORCASOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BrF3N10O/c1-23(54)31-20-48-37-35(46-18-24-7-6-14-44-16-24)50-30(21-52(31)37)27-10-5-11-28(15-27)33-34(40)53-22-29(26-8-3-2-4-9-26)49-36(38(53)51-33)47-19-25-12-13-32(45-17-25)39(41,42)43/h2-17,20-22H,18-19H2,1H3,(H,46,50)(H,47,49).
What are the key properties of 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone?
1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone has a molecular weight of 789.62 g/mol, XLogP of 8.77, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[3-bromo-6-phenyl-8-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone is sourced from PubChem (CID 143460933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).