N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C69H55N17O6S4 — CID 161197794

IUPACN-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)n1.N#Cc1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C25H21N3O2S.C24H20N8O3S2.C20H14N6OS/c29-25(21-8-4-7-20(15-21)18-31-24-16-26-13-14-27-24)28-22-9-11-23(12-10-22)30-17-19-5-2-1-3-6-19;1-15-9-10-25-24(29-15)32-37(34,35)19-7-5-18(6-8-19)30-22(33)17-4-2-3-16(11-17)13-36-23-20-12-28-31-21(20)26-14-27-23;21-9-13-3-2-6-16(8-13)25-19(27)15-5-1-4-14(7-15)11-28-20-17-10-24-26-18(17)22-12-23-20/h1-16H,17-18H2,(H,28,29);2-12,14H,13H2,1H3,(H,30,33)(H,25,29,32)(H,26,27,28,31);1-8,10,12H,11H2,(H,25,27)(H,22,23,24,26)
InChIKeyUUORLTKBPHPMBF-UHFFFAOYSA-N
MW1346.58 g/mol
LogP13.17
Rot. Bonds21

About N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 161197794) has the molecular formula C69H55N17O6S4 and a molecular weight of 1346.58 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID161197794
Molecular FormulaC69H55N17O6S4
Molecular Weight1346.58 g/mol
Exact Mass1345.34
IUPAC NameN-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)n1.N#Cc1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C25H21N3O2S.C24H20N8O3S2.C20H14N6OS/c29-25(21-8-4-7-20(15-21)18-31-24-16-26-13-14-27-24)28-22-9-11-23(12-10-22)30-17-19-5-2-1-3-6-19;1-15-9-10-25-24(29-15)32-37(34,35)19-7-5-18(6-8-19)30-22(33)17-4-2-3-16(11-17)13-36-23-20-12-28-31-21(20)26-14-27-23;21-9-13-3-2-6-16(8-13)25-19(27)15-5-1-4-14(7-15)11-28-20-17-10-24-26-18(17)22-12-23-20/h1-16H,17-18H2,(H,28,29);2-12,14H,13H2,1H3,(H,30,33)(H,25,29,32)(H,26,27,28,31);1-8,10,12H,11H2,(H,25,27)(H,22,23,24,26)
InChIKeyUUORLTKBPHPMBF-UHFFFAOYSA-N
XLogP13.17
TPSA326.97 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.58
LogP ≤ 513.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)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

N-(3-cyanophenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 161784035
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-(3-benzylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(9-ethylcarbazol-3-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 159297320
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 160664958
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 161025044
N-(3,5-ditert-butylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 161248440

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 161197794) is N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)n1.N#Cc1cccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(CSc2cnccn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is UUORLTKBPHPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S.C24H20N8O3S2.C20H14N6OS/c29-25(21-8-4-7-20(15-21)18-31-24-16-26-13-14-27-24)28-22-9-11-23(12-10-22)30-17-19-5-2-1-3-6-19;1-15-9-10-25-24(29-15)32-37(34,35)19-7-5-18(6-8-19)30-22(33)17-4-2-3-16(11-17)13-36-23-20-12-28-31-21(20)26-14-27-23;21-9-13-3-2-6-16(8-13)25-19(27)15-5-1-4-14(7-15)11-28-20-17-10-24-26-18(17)22-12-23-20/h1-16H,17-18H2,(H,28,29);2-12,14H,13H2,1H3,(H,30,33)(H,25,29,32)(H,26,27,28,31);1-8,10,12H,11H2,(H,25,27)(H,22,23,24,26).
What are the key properties of N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 1346.58 g/mol, XLogP of 13.17, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 161197794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).