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

C22H23N5OS — CID 24937342

IUPAC4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(-c2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)ccn2)s1
InChIInChI=1S/C22H23N5OS/c1-14-2-7-20(29-14)18-12-15(10-11-23-18)19-13-24-22-9-8-21(26-27(19)22)25-16-3-5-17(28)6-4-16/h2,7-13,16-17,28H,3-6H2,1H3,(H,25,26)
InChIKeyLWYLZCAGLHGYRX-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.54
Rot. Bonds4

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

4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 24937342) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID24937342
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(-c2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)ccn2)s1
InChIInChI=1S/C22H23N5OS/c1-14-2-7-20(29-14)18-12-15(10-11-23-18)19-13-24-22-9-8-21(26-27(19)22)25-16-3-5-17(28)6-4-16/h2,7-13,16-17,28H,3-6H2,1H3,(H,25,26)
InChIKeyLWYLZCAGLHGYRX-UHFFFAOYSA-N
XLogP4.54
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-(6-((trans)-4-Hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 24996406
N-[3-[6-(2-thienyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] acetamide
CID 126673008
6-(4-Methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 127035764
(2S)-2-[[3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137638472
(2S)-2-[[3-(3-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137643721
(2S)-2-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 137658970
3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 6419824
3-(1-benzothiophen-2-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857883
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
4-((3-(3-Cyano phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 66598157
4-((3-(3-Trifluoromethylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 66598158
US9096589, (S)-1-Methylamino-3-{2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-propan-2-ol
CID 67256956

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 24937342) is 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc(-c2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)ccn2)s1.
What is the InChIKey of 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is LWYLZCAGLHGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14-2-7-20(29-14)18-12-15(10-11-23-18)19-13-24-22-9-8-21(26-27(19)22)25-16-3-5-17(28)6-4-16/h2,7-13,16-17,28H,3-6H2,1H3,(H,25,26).
What are the key properties of 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 405.53 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(5-methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24937342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).