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

C25H24N6O2S — CID 135501101

IUPAC1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C25H24N6O2S/c1-4-11-33-20-9-8-16(19-14-34-25(27-19)17-7-6-10-26-13-17)12-18(20)22-28-23-21(24(32)29-22)15(3)30-31(23)5-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,28,29,32)
InChIKeySJCVBERFLJKEBJ-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.09
Rot. Bonds7

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

1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135501101) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135501101
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C25H24N6O2S/c1-4-11-33-20-9-8-16(19-14-34-25(27-19)17-7-6-10-26-13-17)12-18(20)22-28-23-21(24(32)29-22)15(3)30-31(23)5-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,28,29,32)
InChIKeySJCVBERFLJKEBJ-UHFFFAOYSA-N
XLogP5.09
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
1,3-Dimethyl-6-(2-propoxy-5-thiazol-2-yl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135496441
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
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135501101) is 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SJCVBERFLJKEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-4-11-33-20-9-8-16(19-14-34-25(27-19)17-7-6-10-26-13-17)12-18(20)22-28-23-21(24(32)29-22)15(3)30-31(23)5-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,28,29,32).
What are the key properties of 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 472.57 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135501101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).