4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile

C19H20N6O — CID 53184160

IUPAC4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile
SMILESCC1CN=C2C(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)=NC=CN21
InChIInChI=1S/C19H20N6O/c1-14-13-22-18-17(21-6-7-25(14)18)23-8-10-24(11-9-23)19(26)16-4-2-15(12-20)3-5-16/h2-7,14H,8-11,13H2,1H3
InChIKeyZOSKGNOVNHEJRJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.30
Rot. Bonds1

About 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile

4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile (PubChem CID 53184160) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile
PubChem CID53184160
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile
SMILESCC1CN=C2C(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)=NC=CN21
InChIInChI=1S/C19H20N6O/c1-14-13-22-18-17(21-6-7-25(14)18)23-8-10-24(11-9-23)19(26)16-4-2-15(12-20)3-5-16/h2-7,14H,8-11,13H2,1H3
InChIKeyZOSKGNOVNHEJRJ-UHFFFAOYSA-N
XLogP1.30
TPSA75.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile (CID 53184160) is 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile is CC1CN=C2C(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)=NC=CN21.
What is the InChIKey of 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile?
The InChIKey is ZOSKGNOVNHEJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-13-22-18-17(21-6-7-25(14)18)23-8-10-24(11-9-23)19(26)16-4-2-15(12-20)3-5-16/h2-7,14H,8-11,13H2,1H3.
What are the key properties of 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile?
4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile has a molecular weight of 348.41 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 53184160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).