8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine

C18H14N4 — CID 54589038

IUPAC8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine
SMILESCc1ccncc1-c1ccnn2c(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-7-9-19-11-16(13)15-8-10-21-22-17(12-20-18(15)22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyNUOVJLXFIJYJIH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.77
Rot. Bonds2

About 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine

8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine (PubChem CID 54589038) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine
PubChem CID54589038
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine
SMILESCc1ccncc1-c1ccnn2c(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-7-9-19-11-16(13)15-8-10-21-22-17(12-20-18(15)22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyNUOVJLXFIJYJIH-UHFFFAOYSA-N
XLogP3.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine (CID 54589038) is 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine is Cc1ccncc1-c1ccnn2c(-c3ccccc3)cnc12.
What is the InChIKey of 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine?
The InChIKey is NUOVJLXFIJYJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-7-9-19-11-16(13)15-8-10-21-22-17(12-20-18(15)22)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine?
8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine has a molecular weight of 286.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 54589038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).