5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole

C19H17FN6O — CID 170648947

IUPAC5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
SMILESFc1ncccc1-c1ccc2c(c1)c(-c1cn[nH]n1)nn2C1CCCCO1
InChIInChI=1S/C19H17FN6O/c20-19-13(4-3-8-21-19)12-6-7-16-14(10-12)18(15-11-22-25-23-15)24-26(16)17-5-1-2-9-27-17/h3-4,6-8,10-11,17H,1-2,5,9H2,(H,22,23,25)
InChIKeyHAROMTCYWDYPOL-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.72
Rot. Bonds3

About 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole

5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole (PubChem CID 170648947) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
PubChem CID170648947
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
SMILESFc1ncccc1-c1ccc2c(c1)c(-c1cn[nH]n1)nn2C1CCCCO1
InChIInChI=1S/C19H17FN6O/c20-19-13(4-3-8-21-19)12-6-7-16-14(10-12)18(15-11-22-25-23-15)24-26(16)17-5-1-2-9-27-17/h3-4,6-8,10-11,17H,1-2,5,9H2,(H,22,23,25)
InChIKeyHAROMTCYWDYPOL-UHFFFAOYSA-N
XLogP3.72
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 170649059
1-[7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 170649118
(4-chlorophenyl)-[7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170648983
7-(2-fluoro-3-pyridinyl)-2-(oxan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-dihydropyrazolo[4,3-c]quinolin-4-one
CID 89454302
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
CID 146944332
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170648908
5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide
CID 175758541
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
4-[(E)-2-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethenyl]benzoic acid
CID 22480234
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
CID 167427908

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole (CID 170648947) is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole is Fc1ncccc1-c1ccc2c(c1)c(-c1cn[nH]n1)nn2C1CCCCO1.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole?
The InChIKey is HAROMTCYWDYPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-19-13(4-3-8-21-19)12-6-7-16-14(10-12)18(15-11-22-25-23-15)24-26(16)17-5-1-2-9-27-17/h3-4,6-8,10-11,17H,1-2,5,9H2,(H,22,23,25).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole?
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole has a molecular weight of 364.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole is sourced from PubChem (CID 170648947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).