2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one

C23H25N5O2 — CID 123711112

IUPAC2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one
SMILESCc1cc(-c2nc3ccc(OC(C)C)nc3n2C(C)c2ccccc2)nn(C)c1=O
InChIInChI=1S/C23H25N5O2/c1-14(2)30-20-12-11-18-21(25-20)28(16(4)17-9-7-6-8-10-17)22(24-18)19-13-15(3)23(29)27(5)26-19/h6-14,16H,1-5H3
InChIKeyIDJYYACQZIWGBN-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.90
Rot. Bonds5

About 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one

2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one (PubChem CID 123711112) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one
PubChem CID123711112
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one
SMILESCc1cc(-c2nc3ccc(OC(C)C)nc3n2C(C)c2ccccc2)nn(C)c1=O
InChIInChI=1S/C23H25N5O2/c1-14(2)30-20-12-11-18-21(25-20)28(16(4)17-9-7-6-8-10-17)22(24-18)19-13-15(3)23(29)27(5)26-19/h6-14,16H,1-5H3
InChIKeyIDJYYACQZIWGBN-UHFFFAOYSA-N
XLogP3.90
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]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 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one?
The IUPAC name of 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one (CID 123711112) is 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one is Cc1cc(-c2nc3ccc(OC(C)C)nc3n2C(C)c2ccccc2)nn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one?
The InChIKey is IDJYYACQZIWGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)30-20-12-11-18-21(25-20)28(16(4)17-9-7-6-8-10-17)22(24-18)19-13-15(3)23(29)27(5)26-19/h6-14,16H,1-5H3.
What are the key properties of 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one?
2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one has a molecular weight of 403.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one is sourced from PubChem (CID 123711112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).