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

C20H18F2N4O — CID 175985356

IUPAC2-amino-6-cyclopropyl-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)c3cnc(C4CC4)c(F)c32)c1C
InChIInChI=1S/C20H18F2N4O/c1-9-14(21)6-15(27-3)10(2)18(9)26-19-13(12(7-23)20(26)24)8-25-17(16(19)22)11-4-5-11/h6,8,11H,4-5,24H2,1-3H3
InChIKeyDRECOLKWLOUFAD-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.26
Rot. Bonds3

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

2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 175985356) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID175985356
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-amino-6-cyclopropyl-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)c3cnc(C4CC4)c(F)c32)c1C
InChIInChI=1S/C20H18F2N4O/c1-9-14(21)6-15(27-3)10(2)18(9)26-19-13(12(7-23)20(26)24)8-25-17(16(19)22)11-4-5-11/h6,8,11H,4-5,24H2,1-3H3
InChIKeyDRECOLKWLOUFAD-UHFFFAOYSA-N
XLogP4.26
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 175985356) is 2-amino-6-cyclopropyl-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-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-cyclopropyl-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)c3cnc(C4CC4)c(F)c32)c1C.
What is the InChIKey of 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is DRECOLKWLOUFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-9-14(21)6-15(27-3)10(2)18(9)26-19-13(12(7-23)20(26)24)8-25-17(16(19)22)11-4-5-11/h6,8,11H,4-5,24H2,1-3H3.
What are the key properties of 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 368.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclopropyl-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 175985356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).