6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H16N6O2S — CID 137268120

IUPAC6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(=O)N2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)s1
InChIInChI=1S/C15H16N6O2S/c1-9-2-3-11(24-9)14(23)20-4-6-21(7-5-20)15-17-12-10(8-16-19-12)13(22)18-15/h2-3,8H,4-7H2,1H3,(H2,16,17,18,19,22)
InChIKeyOINVZNKDKVUWRZ-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.98
Rot. Bonds2

About 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137268120) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137268120
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(=O)N2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)s1
InChIInChI=1S/C15H16N6O2S/c1-9-2-3-11(24-9)14(23)20-4-6-21(7-5-20)15-17-12-10(8-16-19-12)13(22)18-15/h2-3,8H,4-7H2,1H3,(H2,16,17,18,19,22)
InChIKeyOINVZNKDKVUWRZ-UHFFFAOYSA-N
XLogP0.98
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137268017
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
2-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136545765
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442603
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
1-[2,4-dimethyl-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 47067621
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 24549487

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137268120) is 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C(=O)N2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)s1.
What is the InChIKey of 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OINVZNKDKVUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-2-3-11(24-9)14(23)20-4-6-21(7-5-20)15-17-12-10(8-16-19-12)13(22)18-15/h2-3,8H,4-7H2,1H3,(H2,16,17,18,19,22).
What are the key properties of 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 344.40 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137268120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).