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

C22H25N5O2S — CID 150681830

IUPAC6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3csc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C22H25N5O2S/c1-5-9-16-19-20(25-27(16)18-13-30-14(3)23-18)22(28)26(4)21(24-19)15-10-7-8-11-17(15)29-12-6-2/h7-8,10-11,13H,5-6,9,12H2,1-4H3
InChIKeyJIAOQNFANAYNBN-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.29
Rot. Bonds7

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

6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 150681830) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID150681830
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3csc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C22H25N5O2S/c1-5-9-16-19-20(25-27(16)18-13-30-14(3)23-18)22(28)26(4)21(24-19)15-10-7-8-11-17(15)29-12-6-2/h7-8,10-11,13H,5-6,9,12H2,1-4H3
InChIKeyJIAOQNFANAYNBN-UHFFFAOYSA-N
XLogP4.29
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
CID 152597425
6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 151857267
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
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
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
CID 82444153
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 22325515
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3950226
N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
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2-(2-propoxyphenyl)-3H-pteridin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one (CID 150681830) is 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ccccc1-c1nc2c(CCC)n(-c3csc(C)n3)nc2c(=O)n1C.
What is the InChIKey of 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is JIAOQNFANAYNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-5-9-16-19-20(25-27(16)18-13-30-14(3)23-18)22(28)26(4)21(24-19)15-10-7-8-11-17(15)29-12-6-2/h7-8,10-11,13H,5-6,9,12H2,1-4H3.
What are the key properties of 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 423.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 150681830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).