1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide

C26H23F4N5O4 — CID 162786269

IUPAC1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide
SMILES[2H]COc1ncc(-c2ccc3c(C(N)=O)nn(C([2H])C)c3c2)cc1C(=O)N[C@@H](C[2H])c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C26H23F4N5O4/c1-4-35-21-10-14(5-7-17(21)22(34-35)23(31)36)15-9-19(25(38-3)32-12-15)24(37)33-13(2)18-11-16(6-8-20(18)27)39-26(28,29)30/h5-13H,4H2,1-3H3,(H2,31,36)(H,33,37)/t13-/m0/s1/i2D,3D,4D/t4?,13-
InChIKeyUFFXDWCBBKEIKS-RZSUNJJISA-N
MW548.51 g/mol
LogP4.75
Rot. Bonds10

About 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide

1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 162786269) has the molecular formula C26H23F4N5O4 and a molecular weight of 548.51 g/mol. Its IUPAC name is 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide
PubChem CID162786269
Molecular FormulaC26H23F4N5O4
Molecular Weight548.51 g/mol
Exact Mass548.19
IUPAC Name1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide
SMILES[2H]COc1ncc(-c2ccc3c(C(N)=O)nn(C([2H])C)c3c2)cc1C(=O)N[C@@H](C[2H])c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C26H23F4N5O4/c1-4-35-21-10-14(5-7-17(21)22(34-35)23(31)36)15-9-19(25(38-3)32-12-15)24(37)33-13(2)18-11-16(6-8-20(18)27)39-26(28,29)30/h5-13H,4H2,1-3H3,(H2,31,36)(H,33,37)/t13-/m0/s1/i2D,3D,4D/t4?,13-
InChIKeyUFFXDWCBBKEIKS-RZSUNJJISA-N
XLogP4.75
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]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-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide (CID 162786269) is 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide is [2H]COc1ncc(-c2ccc3c(C(N)=O)nn(C([2H])C)c3c2)cc1C(=O)N[C@@H](C[2H])c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is UFFXDWCBBKEIKS-RZSUNJJISA-N. The full InChI is InChI=1S/C26H23F4N5O4/c1-4-35-21-10-14(5-7-17(21)22(34-35)23(31)36)15-9-19(25(38-3)32-12-15)24(37)33-13(2)18-11-16(6-8-20(18)27)39-26(28,29)30/h5-13H,4H2,1-3H3,(H2,31,36)(H,33,37)/t13-/m0/s1/i2D,3D,4D/t4?,13-.
What are the key properties of 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide?
1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 548.51 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-deuterioethyl)-6-[5-[[(1S)-2-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-6-(deuteriomethoxy)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 162786269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).