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

C21H22BrFN4O2 — CID 175985328

IUPAC2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCc1c(OC)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Br)c21
InChIInChI=1S/C21H22BrFN4O2/c1-4-11-14(29-3)7-13(23)9(2)18(11)27-19-12(15(20(27)24)21(25)28)8-26-17(16(19)22)10-5-6-10/h7-8,10H,4-6,24H2,1-3H3,(H2,25,28)
InChIKeyVYDSGHZHJPAVOM-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.37
Rot. Bonds5

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

2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 175985328) has the molecular formula C21H22BrFN4O2 and a molecular weight of 461.34 g/mol. Its IUPAC name is 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID175985328
Molecular FormulaC21H22BrFN4O2
Molecular Weight461.34 g/mol
Exact Mass460.09
IUPAC Name2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCc1c(OC)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Br)c21
InChIInChI=1S/C21H22BrFN4O2/c1-4-11-14(29-3)7-13(23)9(2)18(11)27-19-12(15(20(27)24)21(25)28)8-26-17(16(19)22)10-5-6-10/h7-8,10H,4-6,24H2,1-3H3,(H2,25,28)
InChIKeyVYDSGHZHJPAVOM-UHFFFAOYSA-N
XLogP4.37
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 175985328) is 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is CCc1c(OC)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Br)c21.
What is the InChIKey of 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is VYDSGHZHJPAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN4O2/c1-4-11-14(29-3)7-13(23)9(2)18(11)27-19-12(15(20(27)24)21(25)28)8-26-17(16(19)22)10-5-6-10/h7-8,10H,4-6,24H2,1-3H3,(H2,25,28).
What are the key properties of 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 461.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 175985328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).