6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide

C21H15F3N4O — CID 118414027

IUPAC6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-7-4-13(5-8-16)12-28-19-9-6-14(10-15(19)11-26-28)17-2-1-3-18(27-17)20(25)29/h1-11H,12H2,(H2,25,29)
InChIKeyCIXHVSBUAHHKOV-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.26
Rot. Bonds4

About 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide

6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118414027) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118414027
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-7-4-13(5-8-16)12-28-19-9-6-14(10-15(19)11-26-28)17-2-1-3-18(27-17)20(25)29/h1-11H,12H2,(H2,25,29)
InChIKeyCIXHVSBUAHHKOV-UHFFFAOYSA-N
XLogP4.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide (CID 118414027) is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is CIXHVSBUAHHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)16-7-4-13(5-8-16)12-28-19-9-6-14(10-15(19)11-26-28)17-2-1-3-18(27-17)20(25)29/h1-11H,12H2,(H2,25,29).
What are the key properties of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide?
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118414027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).