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

C24H19F2N7O — CID 170648907

IUPAC4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
SMILESFc1ncccc1-c1ccc2c(c(-c3cn(-c4ccncc4)nn3)nn2C2CCCCO2)c1F
InChIInChI=1S/C24H19F2N7O/c25-22-16(17-4-3-10-28-24(17)26)6-7-19-21(22)23(30-33(19)20-5-1-2-13-34-20)18-14-32(31-29-18)15-8-11-27-12-9-15/h3-4,6-12,14,20H,1-2,5,13H2
InChIKeyPKCPUYIBWKUDBV-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.72
Rot. Bonds4

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

4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole (PubChem CID 170648907) has the molecular formula C24H19F2N7O and a molecular weight of 459.46 g/mol. Its IUPAC name is 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole.

Molecular Properties

Compound Name4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
PubChem CID170648907
Molecular FormulaC24H19F2N7O
Molecular Weight459.46 g/mol
Exact Mass459.16
IUPAC Name4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
SMILESFc1ncccc1-c1ccc2c(c(-c3cn(-c4ccncc4)nn3)nn2C2CCCCO2)c1F
InChIInChI=1S/C24H19F2N7O/c25-22-16(17-4-3-10-28-24(17)26)6-7-19-21(22)23(30-33(19)20-5-1-2-13-34-20)18-14-32(31-29-18)15-8-11-27-12-9-15/h3-4,6-12,14,20H,1-2,5,13H2
InChIKeyPKCPUYIBWKUDBV-UHFFFAOYSA-N
XLogP4.72
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
CID 137448679
CID 137448679
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
US9725449, Example 29
CID 122686590
US10174024, Example 72
CID 122689884
US10174024, Example 71
CID 122689914
US10683290, Example 25
CID 134485952
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
US10174024, Example 65
CID 138374969
3-(1-Methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)-1-pyridin-4-ylindole
CID 71508682
3-(1-Methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylindole
CID 71508684
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(1-methylpyrazol-4-yl)triazolo[4,5-c]quinoline
CID 137634638

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The IUPAC name of 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole (CID 170648907) is 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole.
What is the SMILES notation for 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The canonical SMILES for 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole is Fc1ncccc1-c1ccc2c(c(-c3cn(-c4ccncc4)nn3)nn2C2CCCCO2)c1F.
What is the InChIKey of 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
The InChIKey is PKCPUYIBWKUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O/c25-22-16(17-4-3-10-28-24(17)26)6-7-19-21(22)23(30-33(19)20-5-1-2-13-34-20)18-14-32(31-29-18)15-8-11-27-12-9-15/h3-4,6-12,14,20H,1-2,5,13H2.
What are the key properties of 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole?
4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole has a molecular weight of 459.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole is sourced from PubChem (CID 170648907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).