1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H23N5O2S — CID 135494393

IUPAC1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C21H23N5O2S/c1-5-9-28-16-8-7-14(21-22-12(3)11-29-21)10-15(16)18-23-19-17(20(27)24-18)13(4)25-26(19)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27)
InChIKeyUEJFZHMZCDQXPA-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.34
Rot. Bonds6

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

1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135494393) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135494393
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C21H23N5O2S/c1-5-9-28-16-8-7-14(21-22-12(3)11-29-21)10-15(16)18-23-19-17(20(27)24-18)13(4)25-26(19)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27)
InChIKeyUEJFZHMZCDQXPA-UHFFFAOYSA-N
XLogP4.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-3-methyl-6-[5-(2-phenyl-thiazol-4-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135406542
1-Ethyl-3-methyl-6-[5-(2-methyl-thiazol-4-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135415122
N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]thiophene-2-carboxamide
CID 135415142
1,3-Dimethyl-6-[5-(4-methyl-thiazol-2-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462338
1,3-Dimethyl-6-(2-propoxy-5-thiazol-2-yl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135496441
1-Ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-thiazol-4-yl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135501101
1,3-Dimethyl-6-(2-propoxy-5-thiophen-2-yl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513981
1,3-Dimethyl-6-[5-(5-methyl-thiophen-2-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135515154
1,3-Dimethyl-6-[5-(2-phenyl-thiazol-4-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135515212
1,3-Dimethyl-6-[5-(2-methyl-thiazol-4-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135518654
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330
1-[2-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135508281

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135494393) is 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UEJFZHMZCDQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-5-9-28-16-8-7-14(21-22-12(3)11-29-21)10-15(16)18-23-19-17(20(27)24-18)13(4)25-26(19)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27).
What are the key properties of 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 409.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[5-(4-methyl-1,3-thiazol-2-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135494393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).