4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C20H19FN4OS — CID 90388453

IUPAC4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)CC1
InChIInChI=1S/C20H19FN4OS/c21-13-1-6-17-12(9-13)10-18(27-17)16-11-22-20-8-7-19(24-25(16)20)23-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24)
InChIKeyYTFPTVHPGBKQHF-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.47
Rot. Bonds3

About 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 90388453) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID90388453
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)CC1
InChIInChI=1S/C20H19FN4OS/c21-13-1-6-17-12(9-13)10-18(27-17)16-11-22-20-8-7-19(24-25(16)20)23-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24)
InChIKeyYTFPTVHPGBKQHF-UHFFFAOYSA-N
XLogP4.47
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 90388453) is 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)CC1.
What is the InChIKey of 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is YTFPTVHPGBKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-13-1-6-17-12(9-13)10-18(27-17)16-11-22-20-8-7-19(24-25(16)20)23-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24).
What are the key properties of 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 382.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90388453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).