[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide

C23H22FN7 — CID 90056518

IUPAC[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide
SMILESCc1ccccc1N1/C(=N/C#N)N2CCN(c3cnc4cc(F)ccc4n3)CC2C1C
InChIInChI=1S/C23H22FN7/c1-15-5-3-4-6-20(15)31-16(2)21-13-29(9-10-30(21)23(31)27-14-25)22-12-26-19-11-17(24)7-8-18(19)28-22/h3-8,11-12,16,21H,9-10,13H2,1-2H3/b27-23+
InChIKeyGKAFMHAGYACKHP-SLEBQGDGSA-N
MW415.48 g/mol
LogP3.31
Rot. Bonds2

About [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide

[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide (PubChem CID 90056518) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide.

Molecular Properties

Compound Name[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide
PubChem CID90056518
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide
SMILESCc1ccccc1N1/C(=N/C#N)N2CCN(c3cnc4cc(F)ccc4n3)CC2C1C
InChIInChI=1S/C23H22FN7/c1-15-5-3-4-6-20(15)31-16(2)21-13-29(9-10-30(21)23(31)27-14-25)22-12-26-19-11-17(24)7-8-18(19)28-22/h3-8,11-12,16,21H,9-10,13H2,1-2H3/b27-23+
InChIKeyGKAFMHAGYACKHP-SLEBQGDGSA-N
XLogP3.31
TPSA71.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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CID 816945

Frequently Asked Questions

What is the IUPAC name of [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide?
The IUPAC name of [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide (CID 90056518) is [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide.
What is the SMILES notation for [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide?
The canonical SMILES for [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide is Cc1ccccc1N1/C(=N/C#N)N2CCN(c3cnc4cc(F)ccc4n3)CC2C1C.
What is the InChIKey of [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide?
The InChIKey is GKAFMHAGYACKHP-SLEBQGDGSA-N. The full InChI is InChI=1S/C23H22FN7/c1-15-5-3-4-6-20(15)31-16(2)21-13-29(9-10-30(21)23(31)27-14-25)22-12-26-19-11-17(24)7-8-18(19)28-22/h3-8,11-12,16,21H,9-10,13H2,1-2H3/b27-23+.
What are the key properties of [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide?
[7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide has a molecular weight of 415.48 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-fluoroquinoxalin-2-yl)-1-methyl-2-(2-methylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-ylidene]cyanamide is sourced from PubChem (CID 90056518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).