7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide

C22H23F3N4O4 — CID 20604471

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-31-18-8-4-5-15-19(27-29(20(15)18)10-9-28-11-13-32-14-12-28)21(30)26-16-6-2-3-7-17(16)33-22(23,24)25/h2-8H,9-14H2,1H3,(H,26,30)
InChIKeyPDEOYIAXDGSLSJ-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.53
Rot. Bonds7

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide (PubChem CID 20604471) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide
PubChem CID20604471
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-31-18-8-4-5-15-19(27-29(20(15)18)10-9-28-11-13-32-14-12-28)21(30)26-16-6-2-3-7-17(16)33-22(23,24)25/h2-8H,9-14H2,1H3,(H,26,30)
InChIKeyPDEOYIAXDGSLSJ-UHFFFAOYSA-N
XLogP3.53
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
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CID 2572779
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid (2-chloro-6-fluoro-benzyl)-isopropyl-amide
CID 11049238
5-methoxy-N-{[1-(2-methoxyethyl)-piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714627
5-methoxy-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 89777807
N-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 89777931
N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147861233
5-[3-(difluoromethoxy)phenyl]-2-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087925
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide (CID 20604471) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The InChIKey is PDEOYIAXDGSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-31-18-8-4-5-15-19(27-29(20(15)18)10-9-28-11-13-32-14-12-28)21(30)26-16-6-2-3-7-17(16)33-22(23,24)25/h2-8H,9-14H2,1H3,(H,26,30).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 20604471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).