5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C25H16F3N5O2 — CID 118382354

IUPAC5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-8-9-30-22(12-17)31-24(34)23-20-11-15(6-7-21(20)32-33-23)16-10-19(14-29-13-16)35-18-4-2-1-3-5-18/h1-14H,(H,32,33)(H,30,31,34)
InChIKeyFVJRRHPBTYEMAR-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.08
Rot. Bonds5

About 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382354) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382354
Molecular FormulaC25H16F3N5O2
Molecular Weight475.43 g/mol
Exact Mass475.13
IUPAC Name5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-8-9-30-22(12-17)31-24(34)23-20-11-15(6-7-21(20)32-33-23)16-10-19(14-29-13-16)35-18-4-2-1-3-5-18/h1-14H,(H,32,33)(H,30,31,34)
InChIKeyFVJRRHPBTYEMAR-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-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118382354) is 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is FVJRRHPBTYEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c26-25(27,28)17-8-9-30-22(12-17)31-24(34)23-20-11-15(6-7-21(20)32-33-23)16-10-19(14-29-13-16)35-18-4-2-1-3-5-18/h1-14H,(H,32,33)(H,30,31,34).
What are the key properties of 5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-phenoxy-3-pyridinyl)-N-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).