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

C26H25N5O2S — CID 135406542

IUPAC1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C26H25N5O2S/c1-4-13-33-21-12-11-18(20-15-34-26(27-20)17-9-7-6-8-10-17)14-19(21)23-28-24-22(25(32)29-23)16(3)30-31(24)5-2/h6-12,14-15H,4-5,13H2,1-3H3,(H,28,29,32)
InChIKeyIHAPKVAVVGGFNM-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.69
Rot. Bonds7

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

1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135406542) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135406542
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C26H25N5O2S/c1-4-13-33-21-12-11-18(20-15-34-26(27-20)17-9-7-6-8-10-17)14-19(21)23-28-24-22(25(32)29-23)16(3)30-31(24)5-2/h6-12,14-15H,4-5,13H2,1-3H3,(H,28,29,32)
InChIKeyIHAPKVAVVGGFNM-UHFFFAOYSA-N
XLogP5.69
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-Ethyl-3-methyl-6-[5-(5-phenyl-1H-[1,2,4]triazol-3-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462413
1-Ethyl-3-methyl-6-[5-(4-methyl-thiazol-2-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135494393
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
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135406542) is 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IHAPKVAVVGGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-4-13-33-21-12-11-18(20-15-34-26(27-20)17-9-7-6-8-10-17)14-19(21)23-28-24-22(25(32)29-23)16(3)30-31(24)5-2/h6-12,14-15H,4-5,13H2,1-3H3,(H,28,29,32).
What are the key properties of 1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-ethyl-3-methyl-6-[5-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 471.59 g/mol, XLogP of 5.69, 7 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-(2-phenyl-1,3-thiazol-4-yl)-2-propoxyphenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135406542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).