[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone

C19H12Cl2N4O — CID 10000001

IUPAC[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone
SMILESCc1nc2cnncc2n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N4O/c1-11-24-16-9-22-23-10-18(16)25(11)17-7-6-12(20)8-14(17)19(26)13-4-2-3-5-15(13)21/h2-10H,1H3
InChIKeyANOUMYXLUIDQNL-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.66
Rot. Bonds3

About [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone

[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone (PubChem CID 10000001) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone
PubChem CID10000001
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone
SMILESCc1nc2cnncc2n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N4O/c1-11-24-16-9-22-23-10-18(16)25(11)17-7-6-12(20)8-14(17)19(26)13-4-2-3-5-15(13)21/h2-10H,1H3
InChIKeyANOUMYXLUIDQNL-UHFFFAOYSA-N
XLogP4.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone (CID 10000001) is [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone is Cc1nc2cnncc2n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone?
The InChIKey is ANOUMYXLUIDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c1-11-24-16-9-22-23-10-18(16)25(11)17-7-6-12(20)8-14(17)19(26)13-4-2-3-5-15(13)21/h2-10H,1H3.
What are the key properties of [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone?
[5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone has a molecular weight of 383.24 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 10000001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).