4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol

C19H19N5OS — CID 90387780

IUPAC4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccncc5s4)n3n2)CC1
InChIInChI=1S/C19H19N5OS/c25-14-3-1-13(2-4-14)22-18-5-6-19-21-10-15(24(19)23-18)16-9-12-7-8-20-11-17(12)26-16/h5-11,13-14,25H,1-4H2,(H,22,23)
InChIKeyZHZGUKMWTWYWKW-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.72
Rot. Bonds3

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

4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (PubChem CID 90387780) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
PubChem CID90387780
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccncc5s4)n3n2)CC1
InChIInChI=1S/C19H19N5OS/c25-14-3-1-13(2-4-14)22-18-5-6-19-21-10-15(24(19)23-18)16-9-12-7-8-20-11-17(12)26-16/h5-11,13-14,25H,1-4H2,(H,22,23)
InChIKeyZHZGUKMWTWYWKW-UHFFFAOYSA-N
XLogP3.72
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (CID 90387780) is 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cc5ccncc5s4)n3n2)CC1.
What is the InChIKey of 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The InChIKey is ZHZGUKMWTWYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-14-3-1-13(2-4-14)22-18-5-6-19-21-10-15(24(19)23-18)16-9-12-7-8-20-11-17(12)26-16/h5-11,13-14,25H,1-4H2,(H,22,23).
What are the key properties of 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol has a molecular weight of 365.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 90387780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).