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

C21H15FIN5 — CID 166055048

IUPAC1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
SMILESCc1c(I)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C21H15FIN5/c1-12-17(23)8-7-15-20(14-4-3-5-18-16(14)11-27(2)25-18)26-28(21(12)15)13-6-9-19(22)24-10-13/h3-11H,1-2H3
InChIKeyUHHXDQGQNUTVNC-UHFFFAOYSA-N
MW483.29 g/mol
LogP5.03
Rot. Bonds2

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

1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole (PubChem CID 166055048) has the molecular formula C21H15FIN5 and a molecular weight of 483.29 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
PubChem CID166055048
Molecular FormulaC21H15FIN5
Molecular Weight483.29 g/mol
Exact Mass483.04
IUPAC Name1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
SMILESCc1c(I)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12
InChIInChI=1S/C21H15FIN5/c1-12-17(23)8-7-15-20(14-4-3-5-18-16(14)11-27(2)25-18)26-28(21(12)15)13-6-9-19(22)24-10-13/h3-11H,1-2H3
InChIKeyUHHXDQGQNUTVNC-UHFFFAOYSA-N
XLogP5.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
Dihydropyrrolopyrazole, 7d
CID 9946092
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
Nerispirdine hydrochloride
CID 9818503
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole (CID 166055048) is 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole is Cc1c(I)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(F)nc3)c12.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole?
The InChIKey is UHHXDQGQNUTVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FIN5/c1-12-17(23)8-7-15-20(14-4-3-5-18-16(14)11-27(2)25-18)26-28(21(12)15)13-6-9-19(22)24-10-13/h3-11H,1-2H3.
What are the key properties of 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole?
1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole has a molecular weight of 483.29 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole is sourced from PubChem (CID 166055048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).