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

C22H22N4O — CID 44530414

IUPAC4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)CC1
InChIInChI=1S/C22H22N4O/c27-19-9-7-18(8-10-19)24-21-11-12-22-23-14-20(26(22)25-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19,27H,7-10H2,(H,24,25)
InChIKeyJPFAMXFKSLYAKV-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.26
Rot. Bonds3

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

4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (PubChem CID 44530414) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
PubChem CID44530414
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)CC1
InChIInChI=1S/C22H22N4O/c27-19-9-7-18(8-10-19)24-21-11-12-22-23-14-20(26(22)25-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19,27H,7-10H2,(H,24,25)
InChIKeyJPFAMXFKSLYAKV-UHFFFAOYSA-N
XLogP4.26
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (CID 44530414) is 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)CC1.
What is the InChIKey of 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The InChIKey is JPFAMXFKSLYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-19-9-7-18(8-10-19)24-21-11-12-22-23-14-20(26(22)25-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19,27H,7-10H2,(H,24,25).
What are the key properties of 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol has a molecular weight of 358.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 44530414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).