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

C18H21N5O2 — CID 44530416

IUPAC4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cn1
InChIInChI=1S/C18H21N5O2/c1-25-18-9-2-12(10-20-18)15-11-19-17-8-7-16(22-23(15)17)21-13-3-5-14(24)6-4-13/h2,7-11,13-14,24H,3-6H2,1H3,(H,21,22)
InChIKeyKPKMGTIXQVVBHF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds4

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

4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 44530416) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID44530416
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cn1
InChIInChI=1S/C18H21N5O2/c1-25-18-9-2-12(10-20-18)15-11-19-17-8-7-16(22-23(15)17)21-13-3-5-14(24)6-4-13/h2,7-11,13-14,24H,3-6H2,1H3,(H,21,22)
InChIKeyKPKMGTIXQVVBHF-UHFFFAOYSA-N
XLogP2.52
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 44530416) is 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is COc1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cn1.
What is the InChIKey of 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is KPKMGTIXQVVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-18-9-2-12(10-20-18)15-11-19-17-8-7-16(22-23(15)17)21-13-3-5-14(24)6-4-13/h2,7-11,13-14,24H,3-6H2,1H3,(H,21,22).
What are the key properties of 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 339.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 44530416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).