6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C18H23N7O — CID 139547804

IUPAC6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1nc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1C
InChIInChI=1S/C18H23N7O/c1-13(2)18-20-15(12-23(18)3)10-17(26)25-8-6-24(7-9-25)16-5-4-14(11-19)21-22-16/h4-5,12-13H,6-10H2,1-3H3
InChIKeyYJJWLNVNIQMRKL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.10
Rot. Bonds4

About 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 139547804) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID139547804
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1nc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1C
InChIInChI=1S/C18H23N7O/c1-13(2)18-20-15(12-23(18)3)10-17(26)25-8-6-24(7-9-25)16-5-4-14(11-19)21-22-16/h4-5,12-13H,6-10H2,1-3H3
InChIKeyYJJWLNVNIQMRKL-UHFFFAOYSA-N
XLogP1.10
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161855
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
CID 157200827
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 139548175
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 133418334
tert-butyl piperazine-1-carboxylate;6-chloropyridazine-3-carbonitrile;3,3-dichloro-1,1,1-trifluoropropan-2-one;6-piperazin-1-ylpyridazine-3-carbonitrile;2-(4-propan-2-ylphenyl)acetic acid;6-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 161062647
6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 139547804) is 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is CC(C)c1nc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1C.
What is the InChIKey of 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is YJJWLNVNIQMRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13(2)18-20-15(12-23(18)3)10-17(26)25-8-6-24(7-9-25)16-5-4-14(11-19)21-22-16/h4-5,12-13H,6-10H2,1-3H3.
What are the key properties of 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 139547804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).