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

C19H19N5O2S — CID 135496441

IUPAC1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2nccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H19N5O2S/c1-4-8-26-14-6-5-12(19-20-7-9-27-19)10-13(14)16-21-17-15(18(25)22-16)11(2)23-24(17)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,22,25)
InChIKeyWVNAOGQEBKSVSD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.54
Rot. Bonds5

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

1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135496441) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135496441
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2nccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H19N5O2S/c1-4-8-26-14-6-5-12(19-20-7-9-27-19)10-13(14)16-21-17-15(18(25)22-16)11(2)23-24(17)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,22,25)
InChIKeyWVNAOGQEBKSVSD-UHFFFAOYSA-N
XLogP3.54
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.54
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
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-(4-methyl-thiazol-2-yl)-2-propoxy-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135494393
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-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
Ethyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-amido]-1H-pyrazole-4-carboxylate
CID 117795661

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135496441) is 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(-c2nccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WVNAOGQEBKSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-4-8-26-14-6-5-12(19-20-7-9-27-19)10-13(14)16-21-17-15(18(25)22-16)11(2)23-24(17)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,22,25).
What are the key properties of 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-propoxy-5-(1,3-thiazol-2-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135496441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).