7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H17N5OS — CID 137429598

IUPAC7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)c1nn(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H17N5OS/c1-10(2)14-11(8-23(3)22-14)12-9-25-16-15(12)20-17(21-18(16)24)13-6-4-5-7-19-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyZWZPVVHSQPSXNW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.57
Rot. Bonds3

About 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429598) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429598
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)c1nn(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H17N5OS/c1-10(2)14-11(8-23(3)22-14)12-9-25-16-15(12)20-17(21-18(16)24)13-6-4-5-7-19-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyZWZPVVHSQPSXNW-UHFFFAOYSA-N
XLogP3.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429598) is 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)c1nn(C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZWZPVVHSQPSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-10(2)14-11(8-23(3)22-14)12-9-25-16-15(12)20-17(21-18(16)24)13-6-4-5-7-19-13/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 351.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).