[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol

C20H21N5O — CID 118278198

IUPAC[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCc1nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn2c1CO
InChIInChI=1S/C20H21N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,8,10,13H2,1-2H3
InChIKeyHEXSNQZHUCTZEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.72
Rot. Bonds5

About [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol

[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 118278198) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID118278198
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCc1nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn2c1CO
InChIInChI=1S/C20H21N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,8,10,13H2,1-2H3
InChIKeyHEXSNQZHUCTZEE-UHFFFAOYSA-N
XLogP2.72
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol 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-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol (CID 118278198) is [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol is Cc1nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn2c1CO.
What is the InChIKey of [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is HEXSNQZHUCTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,8,10,13H2,1-2H3.
What are the key properties of [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
[2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 347.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 118278198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).