6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile

C20H27N5O — CID 166434370

IUPAC6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile
SMILESCCCC1(C(=O)N2CCC3(CC2)CCN(c2ccc(C#N)nn2)C3)CC1
InChIInChI=1S/C20H27N5O/c1-2-5-20(6-7-20)18(26)24-11-8-19(9-12-24)10-13-25(15-19)17-4-3-16(14-21)22-23-17/h3-4H,2,5-13,15H2,1H3
InChIKeyDALPNEJMMKMEKI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds4

About 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile

6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile (PubChem CID 166434370) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile
PubChem CID166434370
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile
SMILESCCCC1(C(=O)N2CCC3(CC2)CCN(c2ccc(C#N)nn2)C3)CC1
InChIInChI=1S/C20H27N5O/c1-2-5-20(6-7-20)18(26)24-11-8-19(9-12-24)10-13-25(15-19)17-4-3-16(14-21)22-23-17/h3-4H,2,5-13,15H2,1H3
InChIKeyDALPNEJMMKMEKI-UHFFFAOYSA-N
XLogP2.75
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
CID 133420547
1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 115487290
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139547804

Frequently Asked Questions

What is the IUPAC name of 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile (CID 166434370) is 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile is CCCC1(C(=O)N2CCC3(CC2)CCN(c2ccc(C#N)nn2)C3)CC1.
What is the InChIKey of 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile?
The InChIKey is DALPNEJMMKMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-5-20(6-7-20)18(26)24-11-8-19(9-12-24)10-13-25(15-19)17-4-3-16(14-21)22-23-17/h3-4H,2,5-13,15H2,1H3.
What are the key properties of 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile?
6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile has a molecular weight of 353.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 166434370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).