8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one

C19H13ClN4O — CID 19700663

IUPAC8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2c(-c2cccc(Cl)c2)nn1Cc1ccncc1
InChIInChI=1S/C19H13ClN4O/c20-15-4-1-3-14(11-15)17-18-16(5-2-8-22-18)19(25)24(23-17)12-13-6-9-21-10-7-13/h1-11H,12H2
InChIKeyCOLQUUDNEIJASV-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.56
Rot. Bonds3

About 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one

8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one (PubChem CID 19700663) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
PubChem CID19700663
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2c(-c2cccc(Cl)c2)nn1Cc1ccncc1
InChIInChI=1S/C19H13ClN4O/c20-15-4-1-3-14(11-15)17-18-16(5-2-8-22-18)19(25)24(23-17)12-13-6-9-21-10-7-13/h1-11H,12H2
InChIKeyCOLQUUDNEIJASV-UHFFFAOYSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one (CID 19700663) is 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1Cc1ccncc1.
What is the InChIKey of 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one?
The InChIKey is COLQUUDNEIJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-15-4-1-3-14(11-15)17-18-16(5-2-8-22-18)19(25)24(23-17)12-13-6-9-21-10-7-13/h1-11H,12H2.
What are the key properties of 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one?
8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one has a molecular weight of 348.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 19700663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).