4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane

C19H17ClFN5 — CID 143254997

IUPAC4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
SMILESCC.Nc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(Cl)nn23)ccn1
InChIInChI=1S/C17H11ClFN5.C2H6/c18-13-5-6-15-22-16(10-1-3-12(19)4-2-10)17(24(15)23-13)11-7-8-21-14(20)9-11;1-2/h1-9H,(H2,20,21);1-2H3
InChIKeyRCRZTFTYZOCYKT-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.86
Rot. Bonds2

About 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane

4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane (PubChem CID 143254997) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
PubChem CID143254997
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
SMILESCC.Nc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(Cl)nn23)ccn1
InChIInChI=1S/C17H11ClFN5.C2H6/c18-13-5-6-15-22-16(10-1-3-12(19)4-2-10)17(24(15)23-13)11-7-8-21-14(20)9-11;1-2/h1-9H,(H2,20,21);1-2H3
InChIKeyRCRZTFTYZOCYKT-UHFFFAOYSA-N
XLogP4.86
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane?
The IUPAC name of 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane (CID 143254997) is 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane?
The canonical SMILES for 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane is CC.Nc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(Cl)nn23)ccn1.
What is the InChIKey of 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane?
The InChIKey is RCRZTFTYZOCYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5.C2H6/c18-13-5-6-15-22-16(10-1-3-12(19)4-2-10)17(24(15)23-13)11-7-8-21-14(20)9-11;1-2/h1-9H,(H2,20,21);1-2H3.
What are the key properties of 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane?
4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane has a molecular weight of 369.83 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 143254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).