3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

C38H24Cl2F4N10 — CID 137372687

IUPAC3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2c(-c3ccccc3F)nc(N)c3nccn23)cc(C(F)(F)F)n1.N#Cc1cccc(-c2nc(N)c3nccn3c2-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H11Cl2N5.C19H13F4N5/c20-14-7-13(8-15(21)9-14)17-16(12-3-1-2-11(6-12)10-22)25-18(23)19-24-4-5-26(17)19;1-10-8-11(9-14(26-10)19(21,22)23)16-15(12-4-2-3-5-13(12)20)27-17(24)18-25-6-7-28(16)18/h1-9H,(H2,23,25);2-9H,1H3,(H2,24,27)
InChIKeyJXHCJIGLCRUDAO-UHFFFAOYSA-N
MW767.58 g/mol
LogP9.33
Rot. Bonds4

About 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372687) has the molecular formula C38H24Cl2F4N10 and a molecular weight of 767.58 g/mol. Its IUPAC name is 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372687
Molecular FormulaC38H24Cl2F4N10
Molecular Weight767.58 g/mol
Exact Mass766.15
IUPAC Name3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2c(-c3ccccc3F)nc(N)c3nccn23)cc(C(F)(F)F)n1.N#Cc1cccc(-c2nc(N)c3nccn3c2-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H11Cl2N5.C19H13F4N5/c20-14-7-13(8-15(21)9-14)17-16(12-3-1-2-11(6-12)10-22)25-18(23)19-24-4-5-26(17)19;1-10-8-11(9-14(26-10)19(21,22)23)16-15(12-4-2-3-5-13(12)20)27-17(24)18-25-6-7-28(16)18/h1-9H,(H2,23,25);2-9H,1H3,(H2,24,27)
InChIKeyJXHCJIGLCRUDAO-UHFFFAOYSA-N
XLogP9.33
TPSA149.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.58
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (CID 137372687) is 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is Cc1cc(-c2c(-c3ccccc3F)nc(N)c3nccn23)cc(C(F)(F)F)n1.N#Cc1cccc(-c2nc(N)c3nccn3c2-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JXHCJIGLCRUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N5.C19H13F4N5/c20-14-7-13(8-15(21)9-14)17-16(12-3-1-2-11(6-12)10-22)25-18(23)19-24-4-5-26(17)19;1-10-8-11(9-14(26-10)19(21,22)23)16-15(12-4-2-3-5-13(12)20)27-17(24)18-25-6-7-28(16)18/h1-9H,(H2,23,25);2-9H,1H3,(H2,24,27).
What are the key properties of 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 767.58 g/mol, XLogP of 9.33, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).