6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one

C18H22N6O2S — CID 35757143

IUPAC6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C18H22N6O2S/c1-4-24-17(26)15-14(12(2)20-21(15)3)19-18(24)23-9-7-22(8-10-23)16(25)13-6-5-11-27-13/h5-6,11H,4,7-10H2,1-3H3
InChIKeyROYOVTXDJYNRDH-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.48
Rot. Bonds3

About 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one

6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 35757143) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID35757143
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C18H22N6O2S/c1-4-24-17(26)15-14(12(2)20-21(15)3)19-18(24)23-9-7-22(8-10-23)16(25)13-6-5-11-27-13/h5-6,11H,4,7-10H2,1-3H3
InChIKeyROYOVTXDJYNRDH-UHFFFAOYSA-N
XLogP1.48
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757176
4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 35757170
1,3-dimethyl-5-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757284
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione
CID 17072364
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671448
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7539304
1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9331419
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one (CID 35757143) is 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one is CCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ROYOVTXDJYNRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-4-24-17(26)15-14(12(2)20-21(15)3)19-18(24)23-9-7-22(8-10-23)16(25)13-6-5-11-27-13/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 386.48 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 35757143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).