2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

C18H17F3N4O3 — CID 177163622

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])n1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1=O
InChIInChI=1S/C18H17F3N4O3/c1-7-4-5-10(26)8(2)13(7)25-14-9(12(15(25)22)16(23)27)6-11(18(19,20)21)24(3)17(14)28/h4-6,26H,22H2,1-3H3,(H2,23,27)/i3D3
InChIKeyRGWLMQTZWOFASU-HPRDVNIFSA-N
MW397.37 g/mol
LogP2.35
Rot. Bonds3

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 177163622) has the molecular formula C18H17F3N4O3 and a molecular weight of 397.37 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID177163622
Molecular FormulaC18H17F3N4O3
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])n1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1=O
InChIInChI=1S/C18H17F3N4O3/c1-7-4-5-10(26)8(2)13(7)25-14-9(12(15(25)22)16(23)27)6-11(18(19,20)21)24(3)17(14)28/h4-6,26H,22H2,1-3H3,(H2,23,27)/i3D3
InChIKeyRGWLMQTZWOFASU-HPRDVNIFSA-N
XLogP2.35
TPSA116.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163596
2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163631
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-5,5-dimethyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraene-10-carboxamide
CID 178110810
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638135
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide
CID 172622342

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 177163622) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is [2H]C([2H])([2H])n1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1=O.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is RGWLMQTZWOFASU-HPRDVNIFSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-7-4-5-10(26)8(2)13(7)25-14-9(12(15(25)22)16(23)27)6-11(18(19,20)21)24(3)17(14)28/h4-6,26H,22H2,1-3H3,(H2,23,27)/i3D3.
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 397.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177163622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).