2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

C38H40N12 — CID 118278076

IUPAC2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4cccnc4)cn3C)nn2c1C.Cc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C
InChIInChI=1S/2C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15;1-13-14(2)25-19(21-13)9-7-16(23-25)6-8-18-22-17(12-24(18)3)15-5-4-10-20-11-15/h5,7-12H,4,6H2,1-3H3;4-5,7,9-12H,6,8H2,1-3H3
InChIKeyXNFREKVHQCHRKH-UHFFFAOYSA-N
MW664.82 g/mol
LogP5.85
Rot. Bonds8

About 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118278076) has the molecular formula C38H40N12 and a molecular weight of 664.82 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118278076
Molecular FormulaC38H40N12
Molecular Weight664.82 g/mol
Exact Mass664.35
IUPAC Name2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4cccnc4)cn3C)nn2c1C.Cc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C
InChIInChI=1S/2C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15;1-13-14(2)25-19(21-13)9-7-16(23-25)6-8-18-22-17(12-24(18)3)15-5-4-10-20-11-15/h5,7-12H,4,6H2,1-3H3;4-5,7,9-12H,6,8H2,1-3H3
InChIKeyXNFREKVHQCHRKH-UHFFFAOYSA-N
XLogP5.85
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.82
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118278076) is 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3nc(-c4cccnc4)cn3C)nn2c1C.Cc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is XNFREKVHQCHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15;1-13-14(2)25-19(21-13)9-7-16(23-25)6-8-18-22-17(12-24(18)3)15-5-4-10-20-11-15/h5,7-12H,4,6H2,1-3H3;4-5,7,9-12H,6,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 664.82 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).