6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile

C21H26N8O — CID 59463666

IUPAC6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C21H26N8O/c22-12-17-4-5-20(24-23-17)29-14-16-13-26(7-6-19(16)25-29)15-21(30)28-10-8-27(9-11-28)18-2-1-3-18/h4-5,14,18H,1-3,6-11,13,15H2
InChIKeyLAAYQEIKUFFSPR-UHFFFAOYSA-N
MW406.49 g/mol
LogP0.59
Rot. Bonds4

About 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile

6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile (PubChem CID 59463666) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile
PubChem CID59463666
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C21H26N8O/c22-12-17-4-5-20(24-23-17)29-14-16-13-26(7-6-19(16)25-29)15-21(30)28-10-8-27(9-11-28)18-2-1-3-18/h4-5,14,18H,1-3,6-11,13,15H2
InChIKeyLAAYQEIKUFFSPR-UHFFFAOYSA-N
XLogP0.59
TPSA94.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile with MolForge

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Related Compounds

2-[2-(6-chloropyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420701
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 57420700
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 59463557
2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 143540754
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420752
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 143540872
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57462232
2-[[6-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-methylamino]acetonitrile
CID 57421117
5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 59463571
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57420733
1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 57420768

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile (CID 59463666) is 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile is N#Cc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1.
What is the InChIKey of 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile?
The InChIKey is LAAYQEIKUFFSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c22-12-17-4-5-20(24-23-17)29-14-16-13-26(7-6-19(16)25-29)15-21(30)28-10-8-27(9-11-28)18-2-1-3-18/h4-5,14,18H,1-3,6-11,13,15H2.
What are the key properties of 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile?
6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 59463666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).