6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one

C23H23N7O — CID 126915702

IUPAC6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C23H23N7O/c31-22-8-7-20(18-4-3-9-24-16-18)27-30(22)15-12-28-10-13-29(14-11-28)23-19-5-1-2-6-21(19)25-17-26-23/h1-9,16-17H,10-15H2
InChIKeyWXDNRFJZPNWIKG-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.07
Rot. Bonds5

About 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one

6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 126915702) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID126915702
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C23H23N7O/c31-22-8-7-20(18-4-3-9-24-16-18)27-30(22)15-12-28-10-13-29(14-11-28)23-19-5-1-2-6-21(19)25-17-26-23/h1-9,16-17H,10-15H2
InChIKeyWXDNRFJZPNWIKG-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915698
2-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916522
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
6-pyridin-3-yl-2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915633
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915649
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915476
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 126915702) is 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one is O=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is WXDNRFJZPNWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-22-8-7-20(18-4-3-9-24-16-18)27-30(22)15-12-28-10-13-29(14-11-28)23-19-5-1-2-6-21(19)25-17-26-23/h1-9,16-17H,10-15H2.
What are the key properties of 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 413.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 126915702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).