6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one

C26H34N8O5S — CID 150845793

IUPAC6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C26H34N8O5S/c1-6-8-20-22-23(29-34(20)26-27-17(3)39-30-26)25(35)32(5)24(28-22)19-16-18(9-10-21(19)38-15-7-2)40(36,37)33-13-11-31(4)12-14-33/h9-10,16H,6-8,11-15H2,1-5H3
InChIKeyKOYWFICMKPFITL-UHFFFAOYSA-N
MW570.68 g/mol
LogP2.16
Rot. Bonds9

About 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one

6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 150845793) has the molecular formula C26H34N8O5S and a molecular weight of 570.68 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID150845793
Molecular FormulaC26H34N8O5S
Molecular Weight570.68 g/mol
Exact Mass570.24
IUPAC Name6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C26H34N8O5S/c1-6-8-20-22-23(29-34(20)26-27-17(3)39-30-26)25(35)32(5)24(28-22)19-16-18(9-10-21(19)38-15-7-2)40(36,37)33-13-11-31(4)12-14-33/h9-10,16H,6-8,11-15H2,1-5H3
InChIKeyKOYWFICMKPFITL-UHFFFAOYSA-N
XLogP2.16
TPSA141.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.68
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 150793217
6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 151857267
5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-methyl-3-propyl-2-pyridazin-4-ylpyrazolo[4,3-d]pyrimidin-7-one
CID 150451467
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 87356709
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 139983345
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-1-(pyridin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 139983349
2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydropurin-6-one
CID 135430829
butanedioic acid;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135545942
6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
CID 152597425
6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 150681830
2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 172560681

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one (CID 150845793) is 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C.
What is the InChIKey of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is KOYWFICMKPFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O5S/c1-6-8-20-22-23(29-34(20)26-27-17(3)39-30-26)25(35)32(5)24(28-22)19-16-18(9-10-21(19)38-15-7-2)40(36,37)33-13-11-31(4)12-14-33/h9-10,16H,6-8,11-15H2,1-5H3.
What are the key properties of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 570.68 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 150845793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).