2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

C17H14F2N4O — CID 170638006

IUPAC2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1cc(F)c(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C
InChIInChI=1S/C17H14F2N4O/c1-8-12(18)4-14(24-3)9(2)15(8)23-16-11(6-22-7-13(16)19)10(5-20)17(23)21/h4,6-7H,21H2,1-3H3
InChIKeyWNKFYSOLBVOAPK-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.38
Rot. Bonds2

About 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 170638006) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID170638006
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1cc(F)c(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C
InChIInChI=1S/C17H14F2N4O/c1-8-12(18)4-14(24-3)9(2)15(8)23-16-11(6-22-7-13(16)19)10(5-20)17(23)21/h4,6-7H,21H2,1-3H3
InChIKeyWNKFYSOLBVOAPK-UHFFFAOYSA-N
XLogP3.38
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.38
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-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 170638006) is 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is COc1cc(F)c(C)c(-n2c(N)c(C#N)c3cncc(F)c32)c1C.
What is the InChIKey of 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is WNKFYSOLBVOAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-8-12(18)4-14(24-3)9(2)15(8)23-16-11(6-22-7-13(16)19)10(5-20)17(23)21/h4,6-7H,21H2,1-3H3.
What are the key properties of 2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
2-amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 328.32 g/mol, XLogP of 3.38, 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-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 170638006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).