6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine

C18H17ClN6O — CID 155533307

IUPAC6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H17ClN6O/c19-17-8-15(22-13-3-5-26-6-4-13)18-20-10-16(25(18)24-17)11-1-2-14-12(7-11)9-21-23-14/h1-2,7-10,13,22H,3-6H2,(H,21,23)
InChIKeyCLMCEBACAXFRMA-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.52
Rot. Bonds3

About 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155533307) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID155533307
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H17ClN6O/c19-17-8-15(22-13-3-5-26-6-4-13)18-20-10-16(25(18)24-17)11-1-2-14-12(7-11)9-21-23-14/h1-2,7-10,13,22H,3-6H2,(H,21,23)
InChIKeyCLMCEBACAXFRMA-UHFFFAOYSA-N
XLogP3.52
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine (CID 155533307) is 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine is Clc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1.
What is the InChIKey of 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is CLMCEBACAXFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-17-8-15(22-13-3-5-26-6-4-13)18-20-10-16(25(18)24-17)11-1-2-14-12(7-11)9-21-23-14/h1-2,7-10,13,22H,3-6H2,(H,21,23).
What are the key properties of 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 368.83 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155533307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).