5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C25H16F3N5O2 — CID 118382122

IUPAC5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)20-7-4-10-30-23(20)31-24(34)22-19-12-15(8-9-21(19)32-33-22)16-11-18(14-29-13-16)35-17-5-2-1-3-6-17/h1-14H,(H,32,33)(H,30,31,34)
InChIKeyLUXYMBCFOAHMSZ-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.08
Rot. Bonds5

About 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382122) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382122
Molecular FormulaC25H16F3N5O2
Molecular Weight475.43 g/mol
Exact Mass475.13
IUPAC Name5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)20-7-4-10-30-23(20)31-24(34)22-19-12-15(8-9-21(19)32-33-22)16-11-18(14-29-13-16)35-17-5-2-1-3-6-17/h1-14H,(H,32,33)(H,30,31,34)
InChIKeyLUXYMBCFOAHMSZ-UHFFFAOYSA-N
XLogP6.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118382122) is 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is LUXYMBCFOAHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c26-25(27,28)20-7-4-10-30-23(20)31-24(34)22-19-12-15(8-9-21(19)32-33-22)16-11-18(14-29-13-16)35-17-5-2-1-3-6-17/h1-14H,(H,32,33)(H,30,31,34).
What are the key properties of 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenoxy-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).