7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole

C22H18FN5 — CID 166055011

IUPAC7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole
SMILESCCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C22H18FN5/c1-3-14-6-4-8-17-21(16-7-5-9-19-18(16)13-27(2)25-19)26-28(22(14)17)15-10-11-20(23)24-12-15/h4-13H,3H2,1-2H3
InChIKeyBVMGIBCMSPEQKZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.68
Rot. Bonds3

About 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole

7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole (PubChem CID 166055011) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole.

Molecular Properties

Compound Name7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole
PubChem CID166055011
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole
SMILESCCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C22H18FN5/c1-3-14-6-4-8-17-21(16-7-5-9-19-18(16)13-27(2)25-19)26-28(22(14)17)15-10-11-20(23)24-12-15/h4-13H,3H2,1-2H3
InChIKeyBVMGIBCMSPEQKZ-UHFFFAOYSA-N
XLogP4.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
CID 166055048
1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 166054945
methyl 3-[5-[6-(hydroxymethyl)-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 166055027
4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
CID 166054981
1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide
CID 166055045
3-[5-[7-methoxy-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 166097121
1,3-dimethyl-8-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166055001
6-chloro-5-fluoro-7-methyl-1-[6-[(5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-3-(2-methylindazol-4-yl)indazole;formic acid
CID 171533512
1-[5-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171533720
N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 166054951
1-[(1R,4S)-2-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 171600034
1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 171533639

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole?
The IUPAC name of 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole (CID 166055011) is 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole.
What is the SMILES notation for 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole?
The canonical SMILES for 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole is CCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12.
What is the InChIKey of 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole?
The InChIKey is BVMGIBCMSPEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c1-3-14-6-4-8-17-21(16-7-5-9-19-18(16)13-27(2)25-19)26-28(22(14)17)15-10-11-20(23)24-12-15/h4-13H,3H2,1-2H3.
What are the key properties of 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole?
7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole has a molecular weight of 371.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole is sourced from PubChem (CID 166055011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).