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

C22H16N6O — CID 46872606

IUPAC1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4ccccc34)n2)ccn1
InChIInChI=1S/C22H16N6O/c1-15-14-16(6-10-23-15)27-13-9-21(29)22(26-27)20-8-12-25-28(20)19-7-11-24-18-5-3-2-4-17(18)19/h2-14H,1H3
InChIKeyDIGGMGUDKSDDGI-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.34
Rot. Bonds3

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

1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one (PubChem CID 46872606) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
PubChem CID46872606
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4ccccc34)n2)ccn1
InChIInChI=1S/C22H16N6O/c1-15-14-16(6-10-23-15)27-13-9-21(29)22(26-27)20-8-12-25-28(20)19-7-11-24-18-5-3-2-4-17(18)19/h2-14H,1H3
InChIKeyDIGGMGUDKSDDGI-UHFFFAOYSA-N
XLogP3.34
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one (CID 46872606) is 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one is Cc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4ccccc34)n2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is DIGGMGUDKSDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-15-14-16(6-10-23-15)27-13-9-21(29)22(26-27)20-8-12-25-28(20)19-7-11-24-18-5-3-2-4-17(18)19/h2-14H,1H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one?
1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 380.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 46872606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).