cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane

C22H26F2N4 — CID 170593484

IUPACcyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane
SMILESC.C1CCCCC1.Cn1cc2cc(-c3cc(F)c4nccn4c3)cc(F)c2n1
InChIInChI=1S/C15H10F2N4.C6H12.CH4/c1-20-7-11-4-9(5-12(16)14(11)19-20)10-6-13(17)15-18-2-3-21(15)8-10;1-2-4-6-5-3-1;/h2-8H,1H3;1-6H2;1H4
InChIKeyIBTTZSXHIDPEJS-UHFFFAOYSA-N
MW384.47 g/mol
LogP6.14
Rot. Bonds1

About cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane

cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane (PubChem CID 170593484) has the molecular formula C22H26F2N4 and a molecular weight of 384.47 g/mol. Its IUPAC name is cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane.

Molecular Properties

Compound Namecyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane
PubChem CID170593484
Molecular FormulaC22H26F2N4
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Namecyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane
SMILESC.C1CCCCC1.Cn1cc2cc(-c3cc(F)c4nccn4c3)cc(F)c2n1
InChIInChI=1S/C15H10F2N4.C6H12.CH4/c1-20-7-11-4-9(5-12(16)14(11)19-20)10-6-13(17)15-18-2-3-21(15)8-10;1-2-4-6-5-3-1;/h2-8H,1H3;1-6H2;1H4
InChIKeyIBTTZSXHIDPEJS-UHFFFAOYSA-N
XLogP6.14
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-5-(1H-imidazol-2-yl)-2-methylindazole
CID 175904167
2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 175623672
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
8-fluoro-2-methylimidazo[1,2-a]pyridin-6-amine;7-fluoro-2-methylindazol-5-amine
CID 156888280
2-[4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)phenyl]acetic acid
CID 171697852
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314
2-(3,6-dihydro-2H-pyran-4-yl)-5-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-c]pyrazole
CID 162433078
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
(2E)-2-ethylidene-5-(7-fluoro-2-methylindazol-5-yl)thiophen-3-imine
CID 168979376
(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
CID 168978878

Frequently Asked Questions

What is the IUPAC name of cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane?
The IUPAC name of cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane (CID 170593484) is cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane.
What is the SMILES notation for cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane?
The canonical SMILES for cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane is C.C1CCCCC1.Cn1cc2cc(-c3cc(F)c4nccn4c3)cc(F)c2n1.
What is the InChIKey of cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane?
The InChIKey is IBTTZSXHIDPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4.C6H12.CH4/c1-20-7-11-4-9(5-12(16)14(11)19-20)10-6-13(17)15-18-2-3-21(15)8-10;1-2-4-6-5-3-1;/h2-8H,1H3;1-6H2;1H4.
What are the key properties of cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane?
cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane has a molecular weight of 384.47 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane is sourced from PubChem (CID 170593484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).