N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C24H22N6O3S — CID 16882280

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCn3c(C)nc4c(cnn4-c4ccccc4)c3=O)sc2c1
InChIInChI=1S/C24H22N6O3S/c1-3-33-17-9-10-19-20(13-17)34-24(27-19)28-21(31)11-12-29-15(2)26-22-18(23(29)32)14-25-30(22)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,28,31)
InChIKeyDRMAJERDQVMUSF-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.93
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 16882280) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID16882280
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCn3c(C)nc4c(cnn4-c4ccccc4)c3=O)sc2c1
InChIInChI=1S/C24H22N6O3S/c1-3-33-17-9-10-19-20(13-17)34-24(27-19)28-21(31)11-12-29-15(2)26-22-18(23(29)32)14-25-30(22)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,28,31)
InChIKeyDRMAJERDQVMUSF-UHFFFAOYSA-N
XLogP3.93
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16882221
N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882668
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 17404886
N-(5-chloro-2-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882256
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
N-(3,3-diphenylpropyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882187
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-pyridin-2-ylpropanamide
CID 16883046
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-cyclohexyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882160
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 16882280) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CCOc1ccc2nc(NC(=O)CCn3c(C)nc4c(cnn4-c4ccccc4)c3=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is DRMAJERDQVMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-3-33-17-9-10-19-20(13-17)34-24(27-19)28-21(31)11-12-29-15(2)26-22-18(23(29)32)14-25-30(22)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,28,31).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 474.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16882280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).