ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

C21H26N6O — CID 176959586

IUPACethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESCC.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12
InChIInChI=1S/C19H20N6O.C2H6/c1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24;1-2/h3-6,11-12H,2,7-10H2,1H3,(H,21,22);1-2H3
InChIKeyRPDGDEJKYXENKZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.70
Rot. Bonds3

About ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 176959586) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
PubChem CID176959586
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Nameethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESCC.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12
InChIInChI=1S/C19H20N6O.C2H6/c1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24;1-2/h3-6,11-12H,2,7-10H2,1H3,(H,21,22);1-2H3
InChIKeyRPDGDEJKYXENKZ-UHFFFAOYSA-N
XLogP3.70
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The IUPAC name of ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 176959586) is ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The canonical SMILES for ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is CC.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12.
What is the InChIKey of ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The InChIKey is RPDGDEJKYXENKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C2H6/c1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24;1-2/h3-6,11-12H,2,7-10H2,1H3,(H,21,22);1-2H3.
What are the key properties of ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 378.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 176959586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).