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

C18H17N5OS — CID 137429707

IUPAC7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H17N5OS/c1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14/h4-10H,1-3H3,(H,20,21,24)
InChIKeyPUJDFZCBJGHESL-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.80
Rot. Bonds3

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

7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429707) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429707
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H17N5OS/c1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14/h4-10H,1-3H3,(H,20,21,24)
InChIKeyPUJDFZCBJGHESL-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429707) is 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PUJDFZCBJGHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(3-methyl-1-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 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).