4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C20H21N5OS — CID 90387565

IUPAC4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C20H21N5OS/c1-12-9-21-10-13-8-17(27-20(12)13)16-11-22-19-7-6-18(24-25(16)19)23-14-2-4-15(26)5-3-14/h6-11,14-15,26H,2-5H2,1H3,(H,23,24)
InChIKeySXQFMTKWECSGHI-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.03
Rot. Bonds3

About 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 90387565) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID90387565
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C20H21N5OS/c1-12-9-21-10-13-8-17(27-20(12)13)16-11-22-19-7-6-18(24-25(16)19)23-14-2-4-15(26)5-3-14/h6-11,14-15,26H,2-5H2,1H3,(H,23,24)
InChIKeySXQFMTKWECSGHI-UHFFFAOYSA-N
XLogP4.03
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 90387565) is 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.
What is the InChIKey of 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is SXQFMTKWECSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12-9-21-10-13-8-17(27-20(12)13)16-11-22-19-7-6-18(24-25(16)19)23-14-2-4-15(26)5-3-14/h6-11,14-15,26H,2-5H2,1H3,(H,23,24).
What are the key properties of 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 379.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90387565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).