2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C17H14N6O2 — CID 152794952

IUPAC2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ncc[nH]4)nc32)cc1
InChIInChI=1S/C17H14N6O2/c1-9-2-4-10(5-3-9)23-12(24)8-11-13(14(18)25)21-16(22-17(11)23)15-19-6-7-20-15/h2-7H,8H2,1H3,(H2,18,25)(H,19,20)
InChIKeySLDBSDZRBVYRCV-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.49
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 152794952) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID152794952
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ncc[nH]4)nc32)cc1
InChIInChI=1S/C17H14N6O2/c1-9-2-4-10(5-3-9)23-12(24)8-11-13(14(18)25)21-16(22-17(11)23)15-19-6-7-20-15/h2-7H,8H2,1H3,(H2,18,25)(H,19,20)
InChIKeySLDBSDZRBVYRCV-UHFFFAOYSA-N
XLogP1.49
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 152794952) is 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ncc[nH]4)nc32)cc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is SLDBSDZRBVYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-9-2-4-10(5-3-9)23-12(24)8-11-13(14(18)25)21-16(22-17(11)23)15-19-6-7-20-15/h2-7H,8H2,1H3,(H2,18,25)(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 152794952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).