5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one

C24H25N5O3 — CID 25190983

IUPAC5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one
SMILESCOc1cc(Nc2c(OC)cnn(C(C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H25N5O3/c1-16-14-28(15-25-16)20-11-10-19(12-21(20)31-3)27-23-22(32-4)13-26-29(24(23)30)17(2)18-8-6-5-7-9-18/h5-15,17,27H,1-4H3
InChIKeyGYMUSGMPWVSZNS-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.11
Rot. Bonds7

About 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one

5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one (PubChem CID 25190983) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one
PubChem CID25190983
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one
SMILESCOc1cc(Nc2c(OC)cnn(C(C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H25N5O3/c1-16-14-28(15-25-16)20-11-10-19(12-21(20)31-3)27-23-22(32-4)13-26-29(24(23)30)17(2)18-8-6-5-7-9-18/h5-15,17,27H,1-4H3
InChIKeyGYMUSGMPWVSZNS-UHFFFAOYSA-N
XLogP4.11
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one (CID 25190983) is 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one is COc1cc(Nc2c(OC)cnn(C(C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one?
The InChIKey is GYMUSGMPWVSZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-14-28(15-25-16)20-11-10-19(12-21(20)31-3)27-23-22(32-4)13-26-29(24(23)30)17(2)18-8-6-5-7-9-18/h5-15,17,27H,1-4H3.
What are the key properties of 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one?
5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one has a molecular weight of 431.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2-(1-phenylethyl)pyridazin-3-one is sourced from PubChem (CID 25190983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).