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

C23H25F3N4O4 — CID 20604472

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C23H25F3N4O4/c1-32-19-8-4-6-17-20(28-30(21(17)19)10-9-29-11-13-33-14-12-29)22(31)27-15-16-5-2-3-7-18(16)34-23(24,25)26/h2-8H,9-15H2,1H3,(H,27,31)
InChIKeyCOLJRGUJQAECOU-UHFFFAOYSA-N
MW478.47 g/mol
LogP3.21
Rot. Bonds8

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

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide (PubChem CID 20604472) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide
PubChem CID20604472
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C23H25F3N4O4/c1-32-19-8-4-6-17-20(28-30(21(17)19)10-9-29-11-13-33-14-12-29)22(31)27-15-16-5-2-3-7-18(16)34-23(24,25)26/h2-8H,9-15H2,1H3,(H,27,31)
InChIKeyCOLJRGUJQAECOU-UHFFFAOYSA-N
XLogP3.21
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide (CID 20604472) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide is COc1cccc2c(C(=O)NCc3ccccc3OC(F)(F)F)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The InChIKey is COLJRGUJQAECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-32-19-8-4-6-17-20(28-30(21(17)19)10-9-29-11-13-33-14-12-29)22(31)27-15-16-5-2-3-7-18(16)34-23(24,25)26/h2-8H,9-15H2,1H3,(H,27,31).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 3.21, 8 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]methyl]indazole-3-carboxamide is sourced from PubChem (CID 20604472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).