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

C70H55Cl2N17O7S4 — CID 161025044

About 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

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 (PubChem CID 161025044) has the molecular formula C70H55Cl2N17O7S4 and a molecular weight of 1445.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161025044
• Molecular Formula: C70H55Cl2N17O7S4
• Molecular Weight: 1445.50 g/mol
• Exact Mass: 1443.27
• IUPAC Name: 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
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)no1.O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1
• InChI: InChI=1S/C26H21N5O2S.C22H15Cl2N7OS.C22H19N5O4S2/c32-25(30-21-9-11-22(12-10-21)33-15-18-5-2-1-3-6-18)20-8-4-7-19(13-20)16-34-26-23-14-29-31-24(23)27-17-28-26;23-18-19(24)31(12-27-18)16-6-4-15(5-7-16)29-21(32)14-3-1-2-13(8-14)10-33-22-17-9-28-30-20(17)25-11-26-22;1-15-11-20(26-31-15)27-33(29,30)19-7-5-18(6-8-19)25-22(28)17-4-2-3-16(12-17)14-32-21-13-23-9-10-24-21/h1-14,17H,15-16H2,(H,30,32)(H,27,28,29,31);1-9,11-12H,10H2,(H,29,32)(H,25,26,28,30);2-13H,14H2,1H3,(H,25,28)(H,26,27)
• InChIKey: TYWGQIXGFDOISY-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 321.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1445.50
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)no1.O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1.

What is the InChIKey of 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?

The InChIKey is TYWGQIXGFDOISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S.C22H15Cl2N7OS.C22H19N5O4S2/c32-25(30-21-9-11-22(12-10-21)33-15-18-5-2-1-3-6-18)20-8-4-7-19(13-20)16-34-26-23-14-29-31-24(23)27-17-28-26;23-18-19(24)31(12-27-18)16-6-4-15(5-7-16)29-21(32)14-3-1-2-13(8-14)10-33-22-17-9-28-30-20(17)25-11-26-22;1-15-11-20(26-31-15)27-33(29,30)19-7-5-18(6-8-19)25-22(28)17-4-2-3-16(12-17)14-32-21-13-23-9-10-24-21/h1-14,17H,15-16H2,(H,30,32)(H,27,28,29,31);1-9,11-12H,10H2,(H,29,32)(H,25,26,28,30);2-13H,14H2,1H3,(H,25,28)(H,26,27).

What are the key properties of 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?

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 has a molecular weight of 1445.50 g/mol, XLogP of 14.98, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161025044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).