2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

C22H23N9O — CID 126916015

IUPAC2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H23N9O/c32-22-3-2-19(18-4-7-23-8-5-18)27-31(22)15-12-28-10-13-29(14-11-28)20-16-24-17-21(26-20)30-9-1-6-25-30/h1-9,16-17H,10-15H2
InChIKeyFSGISOARQYDUKM-UHFFFAOYSA-N
MW429.49 g/mol
LogP1.10
Rot. Bonds6

About 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126916015) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126916015
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H23N9O/c32-22-3-2-19(18-4-7-23-8-5-18)27-31(22)15-12-28-10-13-29(14-11-28)20-16-24-17-21(26-20)30-9-1-6-25-30/h1-9,16-17H,10-15H2
InChIKeyFSGISOARQYDUKM-UHFFFAOYSA-N
XLogP1.10
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916186
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915119
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914683
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915847
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
5-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126916272
2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (CID 126916015) is 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(c2cncc(-n3cccn3)n2)CC1.
What is the InChIKey of 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is FSGISOARQYDUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c32-22-3-2-19(18-4-7-23-8-5-18)27-31(22)15-12-28-10-13-29(14-11-28)20-16-24-17-21(26-20)30-9-1-6-25-30/h1-9,16-17H,10-15H2.
What are the key properties of 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 429.49 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126916015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).