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

C70H63N15O7S3 — CID 159609171

IUPACN-(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
SMILESCC(C)c1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)ccc1-c1ccccc1
InChIInChI=1S/C26H21N5O2S.C22H21N5O4S.C22H21N5OS/c1-33-23-13-20(10-11-21(23)18-7-3-2-4-8-18)30-25(32)19-9-5-6-17(12-19)15-34-26-22-14-29-31-24(22)27-16-28-26;1-29-17-8-15(9-18(30-2)19(17)31-3)26-21(28)14-6-4-5-13(7-14)11-32-22-16-10-25-27-20(16)23-12-24-22;1-14(2)16-6-4-8-18(10-16)26-21(28)17-7-3-5-15(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22/h2-14,16H,15H2,1H3,(H,30,32)(H,27,28,29,31);4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-11,13-14H,12H2,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyMMLOICILFGRZOD-UHFFFAOYSA-N
MW1322.57 g/mol
LogP14.52
Rot. Bonds21

About 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

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 (PubChem CID 159609171) has the molecular formula C70H63N15O7S3 and a molecular weight of 1322.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159609171
Molecular FormulaC70H63N15O7S3
Molecular Weight1322.57 g/mol
Exact Mass1321.42
IUPAC NameN-(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
SMILESCC(C)c1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)ccc1-c1ccccc1
InChIInChI=1S/C26H21N5O2S.C22H21N5O4S.C22H21N5OS/c1-33-23-13-20(10-11-21(23)18-7-3-2-4-8-18)30-25(32)19-9-5-6-17(12-19)15-34-26-22-14-29-31-24(22)27-16-28-26;1-29-17-8-15(9-18(30-2)19(17)31-3)26-21(28)14-6-4-5-13(7-14)11-32-22-16-10-25-27-20(16)23-12-24-22;1-14(2)16-6-4-8-18(10-16)26-21(28)17-7-3-5-15(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22/h2-14,16H,15H2,1H3,(H,30,32)(H,27,28,29,31);4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-11,13-14H,12H2,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyMMLOICILFGRZOD-UHFFFAOYSA-N
XLogP14.52
TPSA287.60 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001322.57
LogP ≤ 514.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-benzoylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 158088571
3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 10275740
N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597600
N-(3,4-diethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597606
N-(3,4-dimethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597609
N-(3-methoxy-4-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597641
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
3-(isoquinolin-4-ylmethoxy)-N-[3-(2-methoxyethoxy)phenyl]benzamide;3-(isoquinolin-4-ylmethoxy)-N-(3,4,5-trimethoxyphenyl)benzamide;N-(8-prop-2-ynylnaphthalen-2-yl)-3-(1H-pyrazolo[3,4-c]pyridin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 157787209
N-(4-chlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-dimethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-isoquinolin-5-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 157948161
N-(2-methoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 158318071
N-[4-(cyanomethyl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-fluoro-4-methoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-methylsulfanylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 158335272
N-[(4-chlorophenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-diethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 158863886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)ccc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is MMLOICILFGRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S.C22H21N5O4S.C22H21N5OS/c1-33-23-13-20(10-11-21(23)18-7-3-2-4-8-18)30-25(32)19-9-5-6-17(12-19)15-34-26-22-14-29-31-24(22)27-16-28-26;1-29-17-8-15(9-18(30-2)19(17)31-3)26-21(28)14-6-4-5-13(7-14)11-32-22-16-10-25-27-20(16)23-12-24-22;1-14(2)16-6-4-8-18(10-16)26-21(28)17-7-3-5-15(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22/h2-14,16H,15H2,1H3,(H,30,32)(H,27,28,29,31);4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-11,13-14H,12H2,1-2H3,(H,26,28)(H,23,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 1322.57 g/mol, XLogP of 14.52, 21 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).