3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide

C26H19F3N6O2 — CID 118393836

IUPAC3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4ccc(C(N)=O)cc4nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(8-10-20(19)26(27,28)29)25(37)31-24-18-9-7-15(23(30)36)14-22(18)33-35(24)17-5-3-2-4-6-17/h2-14H,1H3,(H2,30,36)(H,31,37)
InChIKeyZCNGBXMCQVZBFM-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.80
Rot. Bonds5

About 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide

3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide (PubChem CID 118393836) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide.

Molecular Properties

Compound Name3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide
PubChem CID118393836
Molecular FormulaC26H19F3N6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC Name3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4ccc(C(N)=O)cc4nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(8-10-20(19)26(27,28)29)25(37)31-24-18-9-7-15(23(30)36)14-22(18)33-35(24)17-5-3-2-4-6-17/h2-14H,1H3,(H2,30,36)(H,31,37)
InChIKeyZCNGBXMCQVZBFM-UHFFFAOYSA-N
XLogP4.80
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide?
The IUPAC name of 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide (CID 118393836) is 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide.
What is the SMILES notation for 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide?
The canonical SMILES for 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c4ccc(C(N)=O)cc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide?
The InChIKey is ZCNGBXMCQVZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(8-10-20(19)26(27,28)29)25(37)31-24-18-9-7-15(23(30)36)14-22(18)33-35(24)17-5-3-2-4-6-17/h2-14H,1H3,(H2,30,36)(H,31,37).
What are the key properties of 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide?
3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-6-carboxamide is sourced from PubChem (CID 118393836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).