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

C21H20FN5O2 — CID 170638001

IUPAC2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOc1cc(F)c(C)c(-n2c(N)c(C(N)=O)c3cnc(C4CC4)c(C#N)c32)c1C
InChIInChI=1S/C21H20FN5O2/c1-9-14(22)6-15(29-3)10(2)18(9)27-19-12(7-23)17(11-4-5-11)26-8-13(19)16(20(27)24)21(25)28/h6,8,11H,4-5,24H2,1-3H3,(H2,25,28)
InChIKeyDGNFUNJHLABQAB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.22
Rot. Bonds4

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

2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 170638001) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID170638001
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOc1cc(F)c(C)c(-n2c(N)c(C(N)=O)c3cnc(C4CC4)c(C#N)c32)c1C
InChIInChI=1S/C21H20FN5O2/c1-9-14(22)6-15(29-3)10(2)18(9)27-19-12(7-23)17(11-4-5-11)26-8-13(19)16(20(27)24)21(25)28/h6,8,11H,4-5,24H2,1-3H3,(H2,25,28)
InChIKeyDGNFUNJHLABQAB-UHFFFAOYSA-N
XLogP3.22
TPSA119.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 170638001) is 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is COc1cc(F)c(C)c(-n2c(N)c(C(N)=O)c3cnc(C4CC4)c(C#N)c32)c1C.
What is the InChIKey of 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is DGNFUNJHLABQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-9-14(22)6-15(29-3)10(2)18(9)27-19-12(7-23)17(11-4-5-11)26-8-13(19)16(20(27)24)21(25)28/h6,8,11H,4-5,24H2,1-3H3,(H2,25,28).
What are the key properties of 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 170638001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).