2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C19H14BrN5O2 — CID 158874870

IUPAC2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccc(Br)n4)nc32)cc1
InChIInChI=1S/C19H14BrN5O2/c1-10-5-7-11(8-6-10)25-15(26)9-12-16(17(21)27)23-18(24-19(12)25)13-3-2-4-14(20)22-13/h2-8H,9H2,1H3,(H2,21,27)
InChIKeyJCHQBNCNZKAZQL-UHFFFAOYSA-N
MW424.26 g/mol
LogP2.93
Rot. Bonds3

About 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 158874870) has the molecular formula C19H14BrN5O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID158874870
Molecular FormulaC19H14BrN5O2
Molecular Weight424.26 g/mol
Exact Mass423.03
IUPAC Name2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccc(Br)n4)nc32)cc1
InChIInChI=1S/C19H14BrN5O2/c1-10-5-7-11(8-6-10)25-15(26)9-12-16(17(21)27)23-18(24-19(12)25)13-3-2-4-14(20)22-13/h2-8H,9H2,1H3,(H2,21,27)
InChIKeyJCHQBNCNZKAZQL-UHFFFAOYSA-N
XLogP2.93
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 158874870) is 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccc(Br)n4)nc32)cc1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is JCHQBNCNZKAZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O2/c1-10-5-7-11(8-6-10)25-15(26)9-12-16(17(21)27)23-18(24-19(12)25)13-3-2-4-14(20)22-13/h2-8H,9H2,1H3,(H2,21,27).
What are the key properties of 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 424.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 158874870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).