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

C21H16FN5O — CID 166054977

IUPAC1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole
SMILESCOc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C21H16FN5O/c1-26-12-16-14(5-3-7-17(16)24-26)20-15-6-4-8-18(28-2)21(15)27(25-20)13-9-10-19(22)23-11-13/h3-12H,1-2H3
InChIKeyRLUUGCTWVYKREW-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.12
Rot. Bonds3

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

1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole (PubChem CID 166054977) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole
PubChem CID166054977
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole
SMILESCOc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C21H16FN5O/c1-26-12-16-14(5-3-7-17(16)24-26)20-15-6-4-8-18(28-2)21(15)27(25-20)13-9-10-19(22)23-11-13/h3-12H,1-2H3
InChIKeyRLUUGCTWVYKREW-UHFFFAOYSA-N
XLogP4.12
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole (CID 166054977) is 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole is COc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole?
The InChIKey is RLUUGCTWVYKREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-26-12-16-14(5-3-7-17(16)24-26)20-15-6-4-8-18(28-2)21(15)27(25-20)13-9-10-19(22)23-11-13/h3-12H,1-2H3.
What are the key properties of 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole?
1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole has a molecular weight of 373.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole is sourced from PubChem (CID 166054977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).