2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

C18H19FN4O2 — CID 171633905

IUPAC2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2nc1C
InChIInChI=1S/C18H19FN4O2/c1-7-5-11-14(17(21)25)16(20)23(18(11)22-10(7)4)15-8(2)12(19)6-13(24)9(15)3/h5-6,24H,20H2,1-4H3,(H2,21,25)
InChIKeyFIVLCYBNLIEKEB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.78
Rot. Bonds2

About 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171633905) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171633905
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2nc1C
InChIInChI=1S/C18H19FN4O2/c1-7-5-11-14(17(21)25)16(20)23(18(11)22-10(7)4)15-8(2)12(19)6-13(24)9(15)3/h5-6,24H,20H2,1-4H3,(H2,21,25)
InChIKeyFIVLCYBNLIEKEB-UHFFFAOYSA-N
XLogP2.78
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 171633905) is 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2nc1C.
What is the InChIKey of 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FIVLCYBNLIEKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-7-5-11-14(17(21)25)16(20)23(18(11)22-10(7)4)15-8(2)12(19)6-13(24)9(15)3/h5-6,24H,20H2,1-4H3,(H2,21,25).
What are the key properties of 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171633905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).