1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide

C18H16N4O3S2 — CID 42887493

IUPAC1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cnc2scc(-c3cccs3)c2c1=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H16N4O3S2/c23-14-6-10(7-21(14)11-3-4-11)16(24)20-22-9-19-17-15(18(22)25)12(8-27-17)13-2-1-5-26-13/h1-2,5,8-11H,3-4,6-7H2,(H,20,24)
InChIKeyUSILCFQUKGGIRM-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 42887493) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide
PubChem CID42887493
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cnc2scc(-c3cccs3)c2c1=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H16N4O3S2/c23-14-6-10(7-21(14)11-3-4-11)16(24)20-22-9-19-17-15(18(22)25)12(8-27-17)13-2-1-5-26-13/h1-2,5,8-11H,3-4,6-7H2,(H,20,24)
InChIKeyUSILCFQUKGGIRM-UHFFFAOYSA-N
XLogP2.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide (CID 42887493) is 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide is O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is USILCFQUKGGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-14-6-10(7-21(14)11-3-4-11)16(24)20-22-9-19-17-15(18(22)25)12(8-27-17)13-2-1-5-26-13/h1-2,5,8-11H,3-4,6-7H2,(H,20,24).
What are the key properties of 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42887493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).