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

C21H29N7O — CID 57420768

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCc1ccc(-n2ncc3c2CN(CC(=O)N2CCN(C4CCC4)CC2)CC3)nn1
InChIInChI=1S/C21H29N7O/c1-16-5-6-20(24-23-16)28-19-14-25(8-7-17(19)13-22-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,13,18H,2-4,7-12,14-15H2,1H3
InChIKeyZDYFHJIQZWIGGY-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.03
Rot. Bonds4

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

1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 57420768) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID57420768
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCc1ccc(-n2ncc3c2CN(CC(=O)N2CCN(C4CCC4)CC2)CC3)nn1
InChIInChI=1S/C21H29N7O/c1-16-5-6-20(24-23-16)28-19-14-25(8-7-17(19)13-22-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,13,18H,2-4,7-12,14-15H2,1H3
InChIKeyZDYFHJIQZWIGGY-UHFFFAOYSA-N
XLogP1.03
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
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
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
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-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24751227
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
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
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859
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-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 57420613
1-(4-cyclopentylpiperazin-1-yl)-2-(6-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420853

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 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) is 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is Cc1ccc(-n2ncc3c2CN(CC(=O)N2CCN(C4CCC4)CC2)CC3)nn1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is ZDYFHJIQZWIGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-16-5-6-20(24-23-16)28-19-14-25(8-7-17(19)13-22-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,13,18H,2-4,7-12,14-15H2,1H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 395.51 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[1-(6-methylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 57420768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).