4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide

C23H17N5O3S — CID 24538558

IUPAC4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H17N5O3S/c1-31-18-12-27(16-10-6-3-7-11-16)25-20(18)21(29)26-28-14-24-22-19(23(28)30)17(13-32-22)15-8-4-2-5-9-15/h2-14H,1H3,(H,26,29)
InChIKeyXXKCHRAZUVCRCI-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.70
Rot. Bonds5

About 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide

4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 24538558) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID24538558
Molecular FormulaC23H17N5O3S
Molecular Weight443.49 g/mol
Exact Mass443.11
IUPAC Name4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H17N5O3S/c1-31-18-12-27(16-10-6-3-7-11-16)25-20(18)21(29)26-28-14-24-22-19(23(28)30)17(13-32-22)15-8-4-2-5-9-15/h2-14H,1H3,(H,26,29)
InChIKeyXXKCHRAZUVCRCI-UHFFFAOYSA-N
XLogP3.70
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide (CID 24538558) is 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is XXKCHRAZUVCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c1-31-18-12-27(16-10-6-3-7-11-16)25-20(18)21(29)26-28-14-24-22-19(23(28)30)17(13-32-22)15-8-4-2-5-9-15/h2-14H,1H3,(H,26,29).
What are the key properties of 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24538558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).