4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

C64H58N16O9S3 — CID 159973793

IUPAC4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc1.COc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(OC)cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)c1
InChIInChI=1S/C22H21N5O4S.C21H18N6O2S.C21H19N5O3S/c1-29-17-8-14(9-18(30-2)19(17)31-3)21(28)26-15-6-4-5-13(7-15)11-32-22-16-10-25-27-20(16)23-12-24-22;1-13(28)25-16-7-5-15(6-8-16)20(29)26-17-4-2-3-14(9-17)11-30-21-18-10-24-27-19(18)22-12-23-21;1-28-16-7-14(8-17(9-16)29-2)20(27)25-15-5-3-4-13(6-15)11-30-21-18-10-24-26-19(18)22-12-23-21/h4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);2-10,12H,11H2,1H3,(H,25,28)(H,26,29)(H,22,23,24,27);3-10,12H,11H2,1-2H3,(H,25,27)(H,22,23,24,26)
InChIKeyOEWWHYXLMYKDSA-UHFFFAOYSA-N
MW1291.47 g/mol
LogP11.69
Rot. Bonds21

About 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide (PubChem CID 159973793) has the molecular formula C64H58N16O9S3 and a molecular weight of 1291.47 g/mol. Its IUPAC name is 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
PubChem CID159973793
Molecular FormulaC64H58N16O9S3
Molecular Weight1291.47 g/mol
Exact Mass1290.37
IUPAC Name4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc1.COc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(OC)cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)c1
InChIInChI=1S/C22H21N5O4S.C21H18N6O2S.C21H19N5O3S/c1-29-17-8-14(9-18(30-2)19(17)31-3)21(28)26-15-6-4-5-13(7-15)11-32-22-16-10-25-27-20(16)23-12-24-22;1-13(28)25-16-7-5-15(6-8-16)20(29)26-17-4-2-3-14(9-17)11-30-21-18-10-24-27-19(18)22-12-23-21;1-28-16-7-14(8-17(9-16)29-2)20(27)25-15-5-3-4-13(6-15)11-30-21-18-10-24-26-19(18)22-12-23-21/h4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);2-10,12H,11H2,1H3,(H,25,28)(H,26,29)(H,22,23,24,27);3-10,12H,11H2,1-2H3,(H,25,27)(H,22,23,24,26)
InChIKeyOEWWHYXLMYKDSA-UHFFFAOYSA-N
XLogP11.69
TPSA325.93 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001291.47
LogP ≤ 511.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 20597236
4-hydroxy-3-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 10223087
3,4,5-triethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597351
3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597354
3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597407
4-hydroxy-3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597472
3-(chloromethyl)benzoyl chloride;3-(chloromethyl)-N-(3,4,5-trimethoxyphenyl)benzamide;1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide;3,4,5-trimethoxyaniline
CID 157346461
5-bromo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide;2,3-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(dimethylamino)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 158925638
N-(3-methoxy-4-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 159609171
3-(carbamothioylamino)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-fluoro-4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide
CID 159696422
4-hydroxy-3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide;[4-[[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoyl]phenyl] acetate
CID 160141747
5-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide;4-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-propan-2-yl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 160227735

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide (CID 159973793) is 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc1.COc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(OC)cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)c1.
What is the InChIKey of 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide?
The InChIKey is OEWWHYXLMYKDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S.C21H18N6O2S.C21H19N5O3S/c1-29-17-8-14(9-18(30-2)19(17)31-3)21(28)26-15-6-4-5-13(7-15)11-32-22-16-10-25-27-20(16)23-12-24-22;1-13(28)25-16-7-5-15(6-8-16)20(29)26-17-4-2-3-14(9-17)11-30-21-18-10-24-27-19(18)22-12-23-21;1-28-16-7-14(8-17(9-16)29-2)20(27)25-15-5-3-4-13(6-15)11-30-21-18-10-24-26-19(18)22-12-23-21/h4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);2-10,12H,11H2,1H3,(H,25,28)(H,26,29)(H,22,23,24,27);3-10,12H,11H2,1-2H3,(H,25,27)(H,22,23,24,26).
What are the key properties of 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide?
4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide has a molecular weight of 1291.47 g/mol, XLogP of 11.69, 21 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,5-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3,4,5-trimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 159973793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).