1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone

C23H26N6O2 — CID 168759843

IUPAC1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2ccc(-c3cnc4ccc(CCN(C)C5CCOCC5)nn34)cc12
InChIInChI=1S/C23H26N6O2/c1-15(30)23-19-13-16(3-5-20(19)25-26-23)21-14-24-22-6-4-17(27-29(21)22)7-10-28(2)18-8-11-31-12-9-18/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,26)
InChIKeyOCDPYXBTEWSBAV-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.13
Rot. Bonds6

About 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone

1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone (PubChem CID 168759843) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone
PubChem CID168759843
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2ccc(-c3cnc4ccc(CCN(C)C5CCOCC5)nn34)cc12
InChIInChI=1S/C23H26N6O2/c1-15(30)23-19-13-16(3-5-20(19)25-26-23)21-14-24-22-6-4-17(27-29(21)22)7-10-28(2)18-8-11-31-12-9-18/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,26)
InChIKeyOCDPYXBTEWSBAV-UHFFFAOYSA-N
XLogP3.13
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone?
The IUPAC name of 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone (CID 168759843) is 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone is CC(=O)c1n[nH]c2ccc(-c3cnc4ccc(CCN(C)C5CCOCC5)nn34)cc12.
What is the InChIKey of 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone?
The InChIKey is OCDPYXBTEWSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15(30)23-19-13-16(3-5-20(19)25-26-23)21-14-24-22-6-4-17(27-29(21)22)7-10-28(2)18-8-11-31-12-9-18/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone?
1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone has a molecular weight of 418.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[2-[methyl(oxan-4-yl)amino]ethyl]imidazo[1,2-b]pyridazin-3-yl]-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 168759843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).