6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine

C16H13ClN4 — CID 90393319

IUPAC6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C
InChIInChI=1S/C16H13ClN4/c1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3-9H,1-2H3
InChIKeyPKUXNBDUVXWAOE-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.85
Rot. Bonds1

About 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine

6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine (PubChem CID 90393319) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine
PubChem CID90393319
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C
InChIInChI=1S/C16H13ClN4/c1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3-9H,1-2H3
InChIKeyPKUXNBDUVXWAOE-UHFFFAOYSA-N
XLogP3.85
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine (CID 90393319) is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine is Cc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.
What is the InChIKey of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine?
The InChIKey is PKUXNBDUVXWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3-9H,1-2H3.
What are the key properties of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine?
6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine has a molecular weight of 296.76 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 90393319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).