5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole

C30H24FN7O — CID 170648924

IUPAC5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole
SMILESFc1ncccc1-c1ccc2c(c1)c(-c1cn(-c3ccc(-c4ccccc4)nc3)nn1)nn2C1CCCCO1
InChIInChI=1S/C30H24FN7O/c31-30-23(9-6-15-32-30)21-11-14-27-24(17-21)29(35-38(27)28-10-4-5-16-39-28)26-19-37(36-34-26)22-12-13-25(33-18-22)20-7-2-1-3-8-20/h1-3,6-9,11-15,17-19,28H,4-5,10,16H2
InChIKeyXHGPGIGCHFAMPV-UHFFFAOYSA-N
MW517.57 g/mol
LogP6.25
Rot. Bonds5

About 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole

5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole (PubChem CID 170648924) has the molecular formula C30H24FN7O and a molecular weight of 517.57 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole
PubChem CID170648924
Molecular FormulaC30H24FN7O
Molecular Weight517.57 g/mol
Exact Mass517.20
IUPAC Name5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole
SMILESFc1ncccc1-c1ccc2c(c1)c(-c1cn(-c3ccc(-c4ccccc4)nc3)nn1)nn2C1CCCCO1
InChIInChI=1S/C30H24FN7O/c31-30-23(9-6-15-32-30)21-11-14-27-24(17-21)29(35-38(27)28-10-4-5-16-39-28)26-19-37(36-34-26)22-12-13-25(33-18-22)20-7-2-1-3-8-20/h1-3,6-9,11-15,17-19,28H,4-5,10,16H2
InChIKeyXHGPGIGCHFAMPV-UHFFFAOYSA-N
XLogP6.25
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.57
LogP ≤ 56.25
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

CID 137448679
CID 137448679
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
US9725449, Example 29
CID 122686590
US10174024, Example 72
CID 122689884
US10174024, Example 71
CID 122689914
US10683290, Example 25
CID 134485952
US10174024, Example 65
CID 138374969
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(1-methylpyrazol-4-yl)triazolo[4,5-c]quinoline
CID 137634638
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137637724
1-[(1R)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137641621

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole (CID 170648924) is 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole is Fc1ncccc1-c1ccc2c(c1)c(-c1cn(-c3ccc(-c4ccccc4)nc3)nn1)nn2C1CCCCO1.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole?
The InChIKey is XHGPGIGCHFAMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O/c31-30-23(9-6-15-32-30)21-11-14-27-24(17-21)29(35-38(27)28-10-4-5-16-39-28)26-19-37(36-34-26)22-12-13-25(33-18-22)20-7-2-1-3-8-20/h1-3,6-9,11-15,17-19,28H,4-5,10,16H2.
What are the key properties of 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole?
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole has a molecular weight of 517.57 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole is sourced from PubChem (CID 170648924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).