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

C19H19FN4O — CID 175985332

IUPAC2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCCc1ncc2c(C#N)c(N)n(-c3c(C)ccc(OC)c3C)c2c1F
InChIInChI=1S/C19H19FN4O/c1-5-14-16(20)18-13(9-23-14)12(8-21)19(22)24(18)17-10(2)6-7-15(25-4)11(17)3/h6-7,9H,5,22H2,1-4H3
InChIKeyRQDBMKLJCQEJIB-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.81
Rot. Bonds3

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

2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 175985332) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID175985332
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCCc1ncc2c(C#N)c(N)n(-c3c(C)ccc(OC)c3C)c2c1F
InChIInChI=1S/C19H19FN4O/c1-5-14-16(20)18-13(9-23-14)12(8-21)19(22)24(18)17-10(2)6-7-15(25-4)11(17)3/h6-7,9H,5,22H2,1-4H3
InChIKeyRQDBMKLJCQEJIB-UHFFFAOYSA-N
XLogP3.81
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 175985332) is 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is CCc1ncc2c(C#N)c(N)n(-c3c(C)ccc(OC)c3C)c2c1F.
What is the InChIKey of 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RQDBMKLJCQEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-5-14-16(20)18-13(9-23-14)12(8-21)19(22)24(18)17-10(2)6-7-15(25-4)11(17)3/h6-7,9H,5,22H2,1-4H3.
What are the key properties of 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 338.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-7-fluoro-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 175985332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).