4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C20H20FN5O — CID 175905284

IUPAC4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1nnccc1N1CCN(C(=O)Cc2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C20H20FN5O/c21-17-11-14(1-4-16(17)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-5-6-23-24-18(19)13-22/h1,4-6,11,15H,2-3,7-10,12H2
InChIKeyUMUDZYXFCZLQGN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.26
Rot. Bonds4

About 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 175905284) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID175905284
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1nnccc1N1CCN(C(=O)Cc2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C20H20FN5O/c21-17-11-14(1-4-16(17)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-5-6-23-24-18(19)13-22/h1,4-6,11,15H,2-3,7-10,12H2
InChIKeyUMUDZYXFCZLQGN-UHFFFAOYSA-N
XLogP2.26
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 178096351
2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 178096379
2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 136513871
2-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzonitrile
CID 163390542
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 178096362
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080931
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 167864495
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 175905284) is 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is N#Cc1nnccc1N1CCN(C(=O)Cc2ccc(C3CC3)c(F)c2)CC1.
What is the InChIKey of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is UMUDZYXFCZLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-17-11-14(1-4-16(17)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-5-6-23-24-18(19)13-22/h1,4-6,11,15H,2-3,7-10,12H2.
What are the key properties of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 365.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 175905284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).