1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one

C21H14N6O — CID 46873747

IUPAC1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc2ccccc12
InChIInChI=1S/C21H14N6O/c28-20-9-14-26(15-5-10-22-11-6-15)25-21(20)19-8-13-24-27(19)18-7-12-23-17-4-2-1-3-16(17)18/h1-14H
InChIKeyBIYPLCHOLPNPLU-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.03
Rot. Bonds3

About 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one

1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one (PubChem CID 46873747) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
PubChem CID46873747
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc2ccccc12
InChIInChI=1S/C21H14N6O/c28-20-9-14-26(15-5-10-22-11-6-15)25-21(20)19-8-13-24-27(19)18-7-12-23-17-4-2-1-3-16(17)18/h1-14H
InChIKeyBIYPLCHOLPNPLU-UHFFFAOYSA-N
XLogP3.03
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one (CID 46873747) is 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc2ccccc12.
What is the InChIKey of 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is BIYPLCHOLPNPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c28-20-9-14-26(15-5-10-22-11-6-15)25-21(20)19-8-13-24-27(19)18-7-12-23-17-4-2-1-3-16(17)18/h1-14H.
What are the key properties of 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 366.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 46873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).