7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H19N5O3S — CID 137429778

About 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429778) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 137429778
• Molecular Formula: C22H19N5O3S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccc(O)cc2)CC1
• InChI: InChI=1S/C22H19N5O3S/c28-15-6-4-14(5-7-15)26-9-11-27(12-10-26)22(30)16-13-31-19-18(16)24-20(25-21(19)29)17-3-1-2-8-23-17/h1-8,13,28H,9-12H2,(H,24,25,29)
• InChIKey: KUWIVSIIUZCRQC-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 102.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429778) is 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccc(O)cc2)CC1.

What is the InChIKey of 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is KUWIVSIIUZCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-15-6-4-14(5-7-15)26-9-11-27(12-10-26)22(30)16-13-31-19-18(16)24-20(25-21(19)29)17-3-1-2-8-23-17/h1-8,13,28H,9-12H2,(H,24,25,29).

What are the key properties of 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 433.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).