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

C18H14N4O2S — CID 161493416

IUPAC7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccs4)nc32)cc1
InChIInChI=1S/C18H14N4O2S/c1-10-4-6-11(7-5-10)22-14(23)9-12-15(16(19)24)20-17(21-18(12)22)13-3-2-8-25-13/h2-8H,9H2,1H3,(H2,19,24)
InChIKeyWFWVIJPERMMIRI-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.83
Rot. Bonds3

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

7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 161493416) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID161493416
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccs4)nc32)cc1
InChIInChI=1S/C18H14N4O2S/c1-10-4-6-11(7-5-10)22-14(23)9-12-15(16(19)24)20-17(21-18(12)22)13-3-2-8-25-13/h2-8H,9H2,1H3,(H2,19,24)
InChIKeyWFWVIJPERMMIRI-UHFFFAOYSA-N
XLogP2.83
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 161493416) is 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1ccc(N2C(=O)Cc3c(C(N)=O)nc(-c4cccs4)nc32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is WFWVIJPERMMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-10-4-6-11(7-5-10)22-14(23)9-12-15(16(19)24)20-17(21-18(12)22)13-3-2-8-25-13/h2-8H,9H2,1H3,(H2,19,24).
What are the key properties of 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 161493416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).