4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C22H28N4O2 — CID 126475860

IUPAC4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(C(C)C)cc1-c1cnc2ccc(NC3CCC(O)CC3)nn12
InChIInChI=1S/C22H28N4O2/c1-14(2)15-4-9-20(28-3)18(12-15)19-13-23-22-11-10-21(25-26(19)22)24-16-5-7-17(27)8-6-16/h4,9-14,16-17,27H,5-8H2,1-3H3,(H,24,25)
InChIKeyNIDQBKCHEHYJOF-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.24
Rot. Bonds5

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

4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 126475860) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID126475860
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(C(C)C)cc1-c1cnc2ccc(NC3CCC(O)CC3)nn12
InChIInChI=1S/C22H28N4O2/c1-14(2)15-4-9-20(28-3)18(12-15)19-13-23-22-11-10-21(25-26(19)22)24-16-5-7-17(27)8-6-16/h4,9-14,16-17,27H,5-8H2,1-3H3,(H,24,25)
InChIKeyNIDQBKCHEHYJOF-UHFFFAOYSA-N
XLogP4.24
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 126475860) is 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is COc1ccc(C(C)C)cc1-c1cnc2ccc(NC3CCC(O)CC3)nn12.
What is the InChIKey of 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is NIDQBKCHEHYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(2)15-4-9-20(28-3)18(12-15)19-13-23-22-11-10-21(25-26(19)22)24-16-5-7-17(27)8-6-16/h4,9-14,16-17,27H,5-8H2,1-3H3,(H,24,25).
What are the key properties of 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 380.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxy-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 126475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).