2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C23H26N8O — CID 126916281

IUPAC2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCCC2
InChIInChI=1S/C23H26N8O/c24-17-19-16-18-4-1-2-5-20(18)26-23(19)29-13-10-28(11-14-29)12-15-31-22(32)7-6-21(27-31)30-9-3-8-25-30/h3,6-9,16H,1-2,4-5,10-15H2
InChIKeyKLNYPORGKFDQIA-UHFFFAOYSA-N
MW430.52 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 126916281) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID126916281
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCCC2
InChIInChI=1S/C23H26N8O/c24-17-19-16-18-4-1-2-5-20(18)26-23(19)29-13-10-28(11-14-29)12-15-31-22(32)7-6-21(27-31)30-9-3-8-25-30/h3,6-9,16H,1-2,4-5,10-15H2
InChIKeyKLNYPORGKFDQIA-UHFFFAOYSA-N
XLogP1.40
TPSA95.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126916016
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915119
2-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079973
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914683
5-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126916272
2-[4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126863346
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
2-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916186
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916224
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916136
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 126916281) is 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCCC2.
What is the InChIKey of 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KLNYPORGKFDQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c24-17-19-16-18-4-1-2-5-20(18)26-23(19)29-13-10-28(11-14-29)12-15-31-22(32)7-6-21(27-31)30-9-3-8-25-30/h3,6-9,16H,1-2,4-5,10-15H2.
What are the key properties of 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 430.52 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 126916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).