4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine

C22H25FN6 — CID 177038460

IUPAC4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(n2cc3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1
InChIInChI=1S/C22H25FN6/c1-13-8-20(26-29-11-14(2)25-22(13)29)15-9-16-12-28(27-21(16)19(23)10-15)18-6-4-17(24-3)5-7-18/h8-12,17-18,24H,4-7H2,1-3H3
InChIKeyWMZGYNHXSFKWHJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.21
Rot. Bonds3

About 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine

4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine (PubChem CID 177038460) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
PubChem CID177038460
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(n2cc3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1
InChIInChI=1S/C22H25FN6/c1-13-8-20(26-29-11-14(2)25-22(13)29)15-9-16-12-28(27-21(16)19(23)10-15)18-6-4-17(24-3)5-7-18/h8-12,17-18,24H,4-7H2,1-3H3
InChIKeyWMZGYNHXSFKWHJ-UHFFFAOYSA-N
XLogP4.21
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine (CID 177038460) is 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine is CNC1CCC(n2cc3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1.
What is the InChIKey of 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine?
The InChIKey is WMZGYNHXSFKWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-13-8-20(26-29-11-14(2)25-22(13)29)15-9-16-12-28(27-21(16)19(23)10-15)18-6-4-17(24-3)5-7-18/h8-12,17-18,24H,4-7H2,1-3H3.
What are the key properties of 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine?
4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine has a molecular weight of 392.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 177038460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).