N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide

C20H19F3N4O2 — CID 138994426

IUPACN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2cn[nH]c12
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-10-15(27-6-8-29-9-7-27)5-4-13(17)11-24-19(28)16-3-1-2-14-12-25-26-18(14)16/h1-5,10,12H,6-9,11H2,(H,24,28)(H,25,26)
InChIKeyAAVNGLICMAFXFW-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.35
Rot. Bonds4

About N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide

N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide (PubChem CID 138994426) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
PubChem CID138994426
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2cn[nH]c12
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-10-15(27-6-8-29-9-7-27)5-4-13(17)11-24-19(28)16-3-1-2-14-12-25-26-18(14)16/h1-5,10,12H,6-9,11H2,(H,24,28)(H,25,26)
InChIKeyAAVNGLICMAFXFW-UHFFFAOYSA-N
XLogP3.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
CID 167973431
2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55803637
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
3-bromo-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55969265
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
CID 55803571
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-indazole-7-carboxamide
CID 46551555
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
2-benzyl-1-ethyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110954495
N',3,3-trimethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737974
1-(2-methoxyethyl)-2-methyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110942209
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 136554169

Frequently Asked Questions

What is the IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide (CID 138994426) is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2cn[nH]c12.
What is the InChIKey of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The InChIKey is AAVNGLICMAFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)17-10-15(27-6-8-29-9-7-27)5-4-13(17)11-24-19(28)16-3-1-2-14-12-25-26-18(14)16/h1-5,10,12H,6-9,11H2,(H,24,28)(H,25,26).
What are the key properties of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 138994426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).