2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C18H19BrN4O2 — CID 156869365

IUPAC2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(Br)c(C)nc32)c1C
InChIInChI=1S/C18H19BrN4O2/c1-8-5-6-13(25-4)9(2)15(8)23-16(20)14(17(21)24)11-7-12(19)10(3)22-18(11)23/h5-7H,20H2,1-4H3,(H2,21,24)
InChIKeyFWMALWPLIWHXCO-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.40
Rot. Bonds3

About 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156869365) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156869365
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(Br)c(C)nc32)c1C
InChIInChI=1S/C18H19BrN4O2/c1-8-5-6-13(25-4)9(2)15(8)23-16(20)14(17(21)24)11-7-12(19)10(3)22-18(11)23/h5-7H,20H2,1-4H3,(H2,21,24)
InChIKeyFWMALWPLIWHXCO-UHFFFAOYSA-N
XLogP3.40
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 156869365) is 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(Br)c(C)nc32)c1C.
What is the InChIKey of 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FWMALWPLIWHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-8-5-6-13(25-4)9(2)15(8)23-16(20)14(17(21)24)11-7-12(19)10(3)22-18(11)23/h5-7H,20H2,1-4H3,(H2,21,24).
What are the key properties of 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156869365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).