5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole

C19H16BrFN6O — CID 170648886

IUPAC5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
SMILESFc1cc(Br)cc2c(-c3cn(-c4ccncc4)nn3)nn(C3CCCCO3)c12
InChIInChI=1S/C19H16BrFN6O/c20-12-9-14-18(16-11-26(25-23-16)13-4-6-22-7-5-13)24-27(19(14)15(21)10-12)17-3-1-2-8-28-17/h4-7,9-11,17H,1-3,8H2
InChIKeyUVQOCYNZGWXHCL-UHFFFAOYSA-N
MW443.28 g/mol
LogP4.28
Rot. Bonds3

About 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole

5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole (PubChem CID 170648886) has the molecular formula C19H16BrFN6O and a molecular weight of 443.28 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole.

Molecular Properties

Compound Name5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
PubChem CID170648886
Molecular FormulaC19H16BrFN6O
Molecular Weight443.28 g/mol
Exact Mass442.06
IUPAC Name5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
SMILESFc1cc(Br)cc2c(-c3cn(-c4ccncc4)nn3)nn(C3CCCCO3)c12
InChIInChI=1S/C19H16BrFN6O/c20-12-9-14-18(16-11-26(25-23-16)13-4-6-22-7-5-13)24-27(19(14)15(21)10-12)17-3-1-2-8-28-17/h4-7,9-11,17H,1-3,8H2
InChIKeyUVQOCYNZGWXHCL-UHFFFAOYSA-N
XLogP4.28
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US11530210, Example 235
CID 155388712
5-bromo-1-(oxan-2-yl)-1H-indazole
CID 53433826
8-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinoline
CID 137659391
5-bromo-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole
CID 44240529
9-[[1-[(3-Bromo-4-fluoro-phenyl)methyl]triazol-4-yl]methyl]carbazole
CID 129905024
1h-Indazole,5-bromo-3-(4-fluorophenyl)-1-(tetrahydro-2h-pyran-2-yl)-
CID 22479680
5-Bromo-4-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 66793308
3-(2-fluoropyridin-4-yl)-5-(pyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253405
3-(6-fluoropyridin-2-yl)-5-(1-methyl-1H-pyrazol-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253439
3-(5-bromo-6-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253450
3-(6-fluoropyridin-2-yl)-5-(5-fluoropyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253531
3-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The IUPAC name of 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole (CID 170648886) is 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole.
What is the SMILES notation for 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The canonical SMILES for 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole is Fc1cc(Br)cc2c(-c3cn(-c4ccncc4)nn3)nn(C3CCCCO3)c12.
What is the InChIKey of 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The InChIKey is UVQOCYNZGWXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN6O/c20-12-9-14-18(16-11-26(25-23-16)13-4-6-22-7-5-13)24-27(19(14)15(21)10-12)17-3-1-2-8-28-17/h4-7,9-11,17H,1-3,8H2.
What are the key properties of 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole has a molecular weight of 443.28 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole is sourced from PubChem (CID 170648886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).