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

C22H23F3N4O4 — CID 20604475

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cccc(OC(F)(F)F)c3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-31-18-7-3-6-17-19(27-29(20(17)18)9-8-28-10-12-32-13-11-28)21(30)26-15-4-2-5-16(14-15)33-22(23,24)25/h2-7,14H,8-13H2,1H3,(H,26,30)
InChIKeyHLKDORWEQHHVTC-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.53
Rot. Bonds7

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

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide (PubChem CID 20604475) 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-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide
PubChem CID20604475
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cccc(OC(F)(F)F)c3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H23F3N4O4/c1-31-18-7-3-6-17-19(27-29(20(17)18)9-8-28-10-12-32-13-11-28)21(30)26-15-4-2-5-16(14-15)33-22(23,24)25/h2-7,14H,8-13H2,1H3,(H,26,30)
InChIKeyHLKDORWEQHHVTC-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

7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765316
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626
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
N-[1-(4-chlorophenyl)propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765301

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide (CID 20604475) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3cccc(OC(F)(F)F)c3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The InChIKey is HLKDORWEQHHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-31-18-7-3-6-17-19(27-29(20(17)18)9-8-28-10-12-32-13-11-28)21(30)26-15-4-2-5-16(14-15)33-22(23,24)25/h2-7,14H,8-13H2,1H3,(H,26,30).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(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-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 20604475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).