6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

C21H22N4O2 — CID 145425940

IUPAC6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1ccc(CC(=O)CC2CN(c3ccc(C#N)nn3)CC2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)16-5-3-15(4-6-16)9-19(26)10-17-12-25(13-20(17)27)21-8-7-18(11-22)23-24-21/h3-8,14,17H,9-10,12-13H2,1-2H3
InChIKeyGDLONKVECDVEFH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.68
Rot. Bonds6

About 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 145425940) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
PubChem CID145425940
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1ccc(CC(=O)CC2CN(c3ccc(C#N)nn3)CC2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)16-5-3-15(4-6-16)9-19(26)10-17-12-25(13-20(17)27)21-8-7-18(11-22)23-24-21/h3-8,14,17H,9-10,12-13H2,1-2H3
InChIKeyGDLONKVECDVEFH-UHFFFAOYSA-N
XLogP2.68
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile with MolForge

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Related Compounds

1-[(3S)-1-(6-cyanopyridazin-3-yl)-4-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548157
N-[(3R,4R)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 139547772
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
6-[3-[3-[4-(1-aminopropan-2-yl)phenyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145426005
6-[(4S)-3-[3-(2-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]-4-hydroxypyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425968
6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 139547940
6-[(3R)-3-[[1-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 167119983
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658
1-[(3S,4R)-1-(6-cyanopyridazin-3-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548160
1-[1-(6-cyanopyridazin-3-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 145425802
1-[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548282

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (CID 145425940) is 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is CC(C)c1ccc(CC(=O)CC2CN(c3ccc(C#N)nn3)CC2=O)cc1.
What is the InChIKey of 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is GDLONKVECDVEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)16-5-3-15(4-6-16)9-19(26)10-17-12-25(13-20(17)27)21-8-7-18(11-22)23-24-21/h3-8,14,17H,9-10,12-13H2,1-2H3.
What are the key properties of 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 362.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 145425940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).