2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

C17H15FN4O — CID 175985365

IUPAC2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C
InChIInChI=1S/C17H15FN4O/c1-9-4-5-14(23-3)10(2)15(9)22-16-12(7-21-8-13(16)18)11(6-19)17(22)20/h4-5,7-8H,20H2,1-3H3
InChIKeyORNRUUHGCVHLGS-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.24
Rot. Bonds2

About 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 175985365) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID175985365
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C
InChIInChI=1S/C17H15FN4O/c1-9-4-5-14(23-3)10(2)15(9)22-16-12(7-21-8-13(16)18)11(6-19)17(22)20/h4-5,7-8H,20H2,1-3H3
InChIKeyORNRUUHGCVHLGS-UHFFFAOYSA-N
XLogP3.24
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 175985365) is 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is COc1ccc(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C.
What is the InChIKey of 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is ORNRUUHGCVHLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-9-4-5-14(23-3)10(2)15(9)22-16-12(7-21-8-13(16)18)11(6-19)17(22)20/h4-5,7-8H,20H2,1-3H3.
What are the key properties of 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 310.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 175985365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).