1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide

C20H13F3N4O2 — CID 54766866

IUPAC1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
InChIKeyCUIATQWCAXYORQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide

1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide (PubChem CID 54766866) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide
PubChem CID54766866
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
InChIKeyCUIATQWCAXYORQ-UHFFFAOYSA-N
XLogP4.33
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide?
The IUPAC name of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide (CID 54766866) is 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.
What is the InChIKey of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide?
The InChIKey is CUIATQWCAXYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28).
What are the key properties of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide?
1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide has a molecular weight of 398.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 54766866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).