1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide

C26H23F4N5O4 — CID 175664758

IUPAC1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nn(C)c2cc(-c3cnc(OC([2H])([2H])[2H])c(C(=O)N[C@@H](c4cc(OC(F)(F)F)ccc4F)C([2H])([2H])[2H])c3)ccc12
InChIInChI=1S/C26H23F4N5O4/c1-13(18-11-16(6-8-20(18)27)39-26(28,29)30)33-23(36)19-9-15(12-32-25(19)38-4)14-5-7-17-21(10-14)35(3)34-22(17)24(37)31-2/h5-13H,1-4H3,(H,31,37)(H,33,36)/t13-/m1/s1/i1D3,2D3,4D3
InChIKeyXSXYAZWMRPJOHA-LXDZCZJASA-N
MW554.55 g/mol
LogP4.53
Rot. Bonds10

About 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide

1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide (PubChem CID 175664758) has the molecular formula C26H23F4N5O4 and a molecular weight of 554.55 g/mol. Its IUPAC name is 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide
PubChem CID175664758
Molecular FormulaC26H23F4N5O4
Molecular Weight554.55 g/mol
Exact Mass554.23
IUPAC Name1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nn(C)c2cc(-c3cnc(OC([2H])([2H])[2H])c(C(=O)N[C@@H](c4cc(OC(F)(F)F)ccc4F)C([2H])([2H])[2H])c3)ccc12
InChIInChI=1S/C26H23F4N5O4/c1-13(18-11-16(6-8-20(18)27)39-26(28,29)30)33-23(36)19-9-15(12-32-25(19)38-4)14-5-7-17-21(10-14)35(3)34-22(17)24(37)31-2/h5-13H,1-4H3,(H,31,37)(H,33,36)/t13-/m1/s1/i1D3,2D3,4D3
InChIKeyXSXYAZWMRPJOHA-LXDZCZJASA-N
XLogP4.53
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)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 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide (CID 175664758) is 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nn(C)c2cc(-c3cnc(OC([2H])([2H])[2H])c(C(=O)N[C@@H](c4cc(OC(F)(F)F)ccc4F)C([2H])([2H])[2H])c3)ccc12.
What is the InChIKey of 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide?
The InChIKey is XSXYAZWMRPJOHA-LXDZCZJASA-N. The full InChI is InChI=1S/C26H23F4N5O4/c1-13(18-11-16(6-8-20(18)27)39-26(28,29)30)33-23(36)19-9-15(12-32-25(19)38-4)14-5-7-17-21(10-14)35(3)34-22(17)24(37)31-2/h5-13H,1-4H3,(H,31,37)(H,33,36)/t13-/m1/s1/i1D3,2D3,4D3.
What are the key properties of 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide?
1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide has a molecular weight of 554.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[[(1R)-2,2,2-trideuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)indazole-3-carboxamide is sourced from PubChem (CID 175664758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).