2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide

C17H15F3N4O — CID 46226354

IUPAC2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25)
InChIKeyKJEJGHQKAMFWRU-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide

2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226354) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
PubChem CID46226354
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25)
InChIKeyKJEJGHQKAMFWRU-UHFFFAOYSA-N
XLogP2.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
CID 132169624
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45271025
Csf1R-IN-1
CID 137333440
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
c-Niraparib
CID 124081212
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide (CID 46226354) is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The InChIKey is KJEJGHQKAMFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25).
What are the key properties of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).