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

C19H19F3N4O3 — CID 177163631

IUPAC2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1=O
InChIInChI=1S/C19H19F3N4O3/c1-4-25-12(19(20,21)22)7-10-13(17(24)28)16(23)26(15(10)18(25)29)14-8(2)5-6-11(27)9(14)3/h5-7,27H,4,23H2,1-3H3,(H2,24,28)
InChIKeyGJCCSQWFWBQBPC-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.83
Rot. Bonds3

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

2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 177163631) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID177163631
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1=O
InChIInChI=1S/C19H19F3N4O3/c1-4-25-12(19(20,21)22)7-10-13(17(24)28)16(23)26(15(10)18(25)29)14-8(2)5-6-11(27)9(14)3/h5-7,27H,4,23H2,1-3H3,(H2,24,28)
InChIKeyGJCCSQWFWBQBPC-UHFFFAOYSA-N
XLogP2.83
TPSA116.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.83
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-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163622
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
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
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
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-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 177163631) is 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is CCn1c(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-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is GJCCSQWFWBQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-4-25-12(19(20,21)22)7-10-13(17(24)28)16(23)26(15(10)18(25)29)14-8(2)5-6-11(27)9(14)3/h5-7,27H,4,23H2,1-3H3,(H2,24,28).
What are the key properties of 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177163631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).