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

C20H21N5O — CID 118278137

IUPAC2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCCc1nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C20H21N5O/c1-4-16-14(2)25-18(21-16)10-11-20(23-25)26-13-19-22-17(12-24(19)3)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyJBPZXLSIDLCVMF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.58
Rot. Bonds5

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

2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (PubChem CID 118278137) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
PubChem CID118278137
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCCc1nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C20H21N5O/c1-4-16-14(2)25-18(21-16)10-11-20(23-25)26-13-19-22-17(12-24(19)3)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyJBPZXLSIDLCVMF-UHFFFAOYSA-N
XLogP3.58
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (CID 118278137) is 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is CCc1nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn2c1C.
What is the InChIKey of 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is JBPZXLSIDLCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-4-16-14(2)25-18(21-16)10-11-20(23-25)26-13-19-22-17(12-24(19)3)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 347.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).