6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine

C40H33Br3F3N11 — CID 158604522

IUPAC6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine
SMILESBrc1cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc2c(Br)n1.FC(F)(F)CCCNc1nc(Br)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12
InChIInChI=1S/C22H20BrF3N6.C18H13Br2N5/c23-18-12-32-17(11-29-21(32)20(31-18)27-9-1-8-22(24,25)26)14-4-2-13(3-5-14)16-10-28-19(30-16)15-6-7-15;19-15-9-25-14(8-22-18(25)16(20)24-15)11-3-1-10(2-4-11)13-7-21-17(23-13)12-5-6-12/h2-5,10-12,15H,1,6-9H2,(H,27,31)(H,28,30);1-4,7-9,12H,5-6H2,(H,21,23)
InChIKeyHWAXENAPQSBWHQ-UHFFFAOYSA-N
MW964.49 g/mol
LogP11.37
Rot. Bonds10

About 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine

6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 158604522) has the molecular formula C40H33Br3F3N11 and a molecular weight of 964.49 g/mol. Its IUPAC name is 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID158604522
Molecular FormulaC40H33Br3F3N11
Molecular Weight964.49 g/mol
Exact Mass961.04
IUPAC Name6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine
SMILESBrc1cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc2c(Br)n1.FC(F)(F)CCCNc1nc(Br)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12
InChIInChI=1S/C22H20BrF3N6.C18H13Br2N5/c23-18-12-32-17(11-29-21(32)20(31-18)27-9-1-8-22(24,25)26)14-4-2-13(3-5-14)16-10-28-19(30-16)15-6-7-15;19-15-9-25-14(8-22-18(25)16(20)24-15)11-3-1-10(2-4-11)13-7-21-17(23-13)12-5-6-12/h2-5,10-12,15H,1,6-9H2,(H,27,31)(H,28,30);1-4,7-9,12H,5-6H2,(H,21,23)
InChIKeyHWAXENAPQSBWHQ-UHFFFAOYSA-N
XLogP11.37
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.49
LogP ≤ 511.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

US10172843, Example 38
CID 121389304
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-(pyridin-3-ylmethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117089926
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117092634
2-[[1-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 14013388
(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-fluoro-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 56961351
(3S,5R)-3-[5-[4-[4-[2-[(1R,3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-fluoro-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 58519317
5-[2,5-bis[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrol-1-yl]-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 67237003
5-[2,5-bis[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyrrol-1-yl]-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 67237004
2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-1H-benzimidazole
CID 68258668
2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]-4-fluoro-1H-benzimidazole
CID 68258848
3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrrol-2-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 68387009
3-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrol-2-yl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 68387073

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine (CID 158604522) is 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine is Brc1cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc2c(Br)n1.FC(F)(F)CCCNc1nc(Br)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12.
What is the InChIKey of 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is HWAXENAPQSBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrF3N6.C18H13Br2N5/c23-18-12-32-17(11-29-21(32)20(31-18)27-9-1-8-22(24,25)26)14-4-2-13(3-5-14)16-10-28-19(30-16)15-6-7-15;19-15-9-25-14(8-22-18(25)16(20)24-15)11-3-1-10(2-4-11)13-7-21-17(23-13)12-5-6-12/h2-5,10-12,15H,1,6-9H2,(H,27,31)(H,28,30);1-4,7-9,12H,5-6H2,(H,21,23).
What are the key properties of 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine?
6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 964.49 g/mol, XLogP of 11.37, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-8-amine;6,8-dibromo-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 158604522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).