N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C24H13F7N6O2 — CID 51347549

IUPACN-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1F)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H13F7N6O2/c25-15-8-12(39-13-5-6-32-18(9-13)21-33-10-19(35-21)24(29,30)31)2-4-17(15)34-22(38)20-14-7-11(23(26,27)28)1-3-16(14)36-37-20/h1-10H,(H,33,35)(H,34,38)(H,36,37)
InChIKeyFFXPLNHTDHAYBV-UHFFFAOYSA-N
MW550.39 g/mol
LogP6.57
Rot. Bonds5

About N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 51347549) has the molecular formula C24H13F7N6O2 and a molecular weight of 550.39 g/mol. Its IUPAC name is N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID51347549
Molecular FormulaC24H13F7N6O2
Molecular Weight550.39 g/mol
Exact Mass550.10
IUPAC NameN-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1F)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H13F7N6O2/c25-15-8-12(39-13-5-6-32-18(9-13)21-33-10-19(35-21)24(29,30)31)2-4-17(15)34-22(38)20-14-7-11(23(26,27)28)1-3-16(14)36-37-20/h1-10H,(H,33,35)(H,34,38)(H,36,37)
InChIKeyFFXPLNHTDHAYBV-UHFFFAOYSA-N
XLogP6.57
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.39
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-(1-(1H-imidazol-2-yl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 10345579
N-tert-butyl-2-(5-(difluoromethoxy)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279608
N-{2-Fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]-benzyl}-4-trifluoromethoxy-benzamide
CID 121249871
6-ethyl-N-[3-fluoro-4-[[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 126619279
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-phenylpyrimidine-4-carboxamide
CID 127031480
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 135779171
2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide
CID 135779177
N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 135779193
N-[4-(difluoromethoxy)phenyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1H-indazole-3-carboxamide
CID 139431508
US10889571, Example 38
CID 146458661
US10889571, Example 28
CID 146458682
US10889571, Example 34
CID 146458727

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 51347549) is N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1F)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is FFXPLNHTDHAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F7N6O2/c25-15-8-12(39-13-5-6-32-18(9-13)21-33-10-19(35-21)24(29,30)31)2-4-17(15)34-22(38)20-14-7-11(23(26,27)28)1-3-16(14)36-37-20/h1-10H,(H,33,35)(H,34,38)(H,36,37).
What are the key properties of N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 550.39 g/mol, XLogP of 6.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 51347549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).