5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C19H19ClN8 — CID 171101373

IUPAC5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)c(Cl)c2)CC1
InChIInChI=1S/C19H19ClN8/c1-26-4-6-27(7-5-26)15-2-3-17(16(20)8-15)28-12-19(24-13-28)25-18-11-22-14(9-21)10-23-18/h2-3,8,10-13H,4-7H2,1H3,(H,23,25)
InChIKeyUJIPJGULLVITBF-UHFFFAOYSA-N
MW394.87 g/mol
LogP2.68
Rot. Bonds4

About 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101373) has the molecular formula C19H19ClN8 and a molecular weight of 394.87 g/mol. Its IUPAC name is 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID171101373
Molecular FormulaC19H19ClN8
Molecular Weight394.87 g/mol
Exact Mass394.14
IUPAC Name5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)c(Cl)c2)CC1
InChIInChI=1S/C19H19ClN8/c1-26-4-6-27(7-5-26)15-2-3-17(16(20)8-15)28-12-19(24-13-28)25-18-11-22-14(9-21)10-23-18/h2-3,8,10-13H,4-7H2,1H3,(H,23,25)
InChIKeyUJIPJGULLVITBF-UHFFFAOYSA-N
XLogP2.68
TPSA85.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101373) is 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CN1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)c(Cl)c2)CC1.
What is the InChIKey of 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is UJIPJGULLVITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8/c1-26-4-6-27(7-5-26)15-2-3-17(16(20)8-15)28-12-19(24-13-28)25-18-11-22-14(9-21)10-23-18/h2-3,8,10-13H,4-7H2,1H3,(H,23,25).
What are the key properties of 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 394.87 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).