3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C26H33N5O2S — CID 90388394

IUPAC3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESNC1CCCC(O)C1.OC1CCCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1
InChIInChI=1S/C20H20N4OS.C6H13NO/c25-15-6-3-5-14(11-15)22-19-8-9-20-21-12-16(24(20)23-19)18-10-13-4-1-2-7-17(13)26-18;7-5-2-1-3-6(8)4-5/h1-2,4,7-10,12,14-15,25H,3,5-6,11H2,(H,22,23);5-6,8H,1-4,7H2
InChIKeyGKINSKHLJCIMSI-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.57
Rot. Bonds3

About 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 90388394) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID90388394
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESNC1CCCC(O)C1.OC1CCCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1
InChIInChI=1S/C20H20N4OS.C6H13NO/c25-15-6-3-5-14(11-15)22-19-8-9-20-21-12-16(24(20)23-19)18-10-13-4-1-2-7-17(13)26-18;7-5-2-1-3-6(8)4-5/h1-2,4,7-10,12,14-15,25H,3,5-6,11H2,(H,22,23);5-6,8H,1-4,7H2
InChIKeyGKINSKHLJCIMSI-UHFFFAOYSA-N
XLogP4.57
TPSA108.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 90388394) is 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is NC1CCCC(O)C1.OC1CCCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1.
What is the InChIKey of 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is GKINSKHLJCIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS.C6H13NO/c25-15-6-3-5-14(11-15)22-19-8-9-20-21-12-16(24(20)23-19)18-10-13-4-1-2-7-17(13)26-18;7-5-2-1-3-6(8)4-5/h1-2,4,7-10,12,14-15,25H,3,5-6,11H2,(H,22,23);5-6,8H,1-4,7H2.
What are the key properties of 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 479.65 g/mol, XLogP of 4.57, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclohexan-1-ol;3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90388394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).