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

C25H16F3N5O2 — CID 118381665

IUPAC5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-10-18(13-30-12-17)31-24(34)23-21-9-15(6-7-22(21)32-33-23)16-8-20(14-29-11-16)35-19-4-2-1-3-5-19/h1-14H,(H,31,34)(H,32,33)
InChIKeyAAFACGBURFPZHM-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.08
Rot. Bonds5

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

5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381665) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381665
Molecular FormulaC25H16F3N5O2
Molecular Weight475.43 g/mol
Exact Mass475.13
IUPAC Name5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-10-18(13-30-12-17)31-24(34)23-21-9-15(6-7-22(21)32-33-23)16-8-20(14-29-11-16)35-19-4-2-1-3-5-19/h1-14H,(H,31,34)(H,32,33)
InChIKeyAAFACGBURFPZHM-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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Related Compounds

5-(5-amino-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382058
5-(5-phenoxy-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450561
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 159204404
N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451156
N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 123416616
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382133
5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158088813

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381665) is 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is AAFACGBURFPZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c26-25(27,28)17-10-18(13-30-12-17)31-24(34)23-21-9-15(6-7-22(21)32-33-23)16-8-20(14-29-11-16)35-19-4-2-1-3-5-19/h1-14H,(H,31,34)(H,32,33).
What are the key properties of 5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-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-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).