3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide

C114H90F12N16O8S — CID 162140082

About 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide

3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide (PubChem CID 162140082) has the molecular formula C114H90F12N16O8S and a molecular weight of 2072.12 g/mol. Its IUPAC name is 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
• PubChem CID: 162140082
• Molecular Formula: C114H90F12N16O8S
• Molecular Weight: 2072.12 g/mol
• Exact Mass: 2070.67
• IUPAC Name: 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
• SMILES: COc1ccc(-c2nc(Cc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)nc3cc[nH]c23)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1Cc1nc(-c2ccccc2)c2[nH]ccc2n1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1Cc1nc(-c2ccco2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c2[nH]ccc2n1
• InChI: InChI=1S/C29H23F3N4O3S.C29H23F3N4O2.C29H23F3N4O.C27H21F3N4O2/c1-17-6-9-22(34-28(37)19-4-3-5-21(14-19)29(30,31)32)15-20(17)16-25-35-24-12-13-33-27(24)26(36-25)18-7-10-23(11-8-18)40(2,38)39;1-17-6-9-22(34-28(37)19-4-3-5-21(14-19)29(30,31)32)15-20(17)16-25-35-24-12-13-33-27(24)26(36-25)18-7-10-23(38-2)11-8-18;1-17-8-10-20(28(37)35-24-16-22(29(30,31)32)11-9-18(24)2)14-21(17)15-25-34-23-12-13-33-27(23)26(36-25)19-6-4-3-5-7-19;1-15-5-7-17(26(35)33-21-14-19(27(28,29)30)8-6-16(21)2)12-18(15)13-23-32-20-9-10-31-24(20)25(34-23)22-4-3-11-36-22/h3-15,33H,16H2,1-2H3,(H,34,37);3-15,33H,16H2,1-2H3,(H,34,37);3-14,16,33H,15H2,1-2H3,(H,35,37);3-12,14,31H,13H2,1-2H3,(H,33,35)
• InChIKey: ZJUSPLYEYFCLRU-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 339.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.12
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide?

The IUPAC name of 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide (CID 162140082) is 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide?

The canonical SMILES for 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide is COc1ccc(-c2nc(Cc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)nc3cc[nH]c23)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1Cc1nc(-c2ccccc2)c2[nH]ccc2n1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1Cc1nc(-c2ccco2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c2[nH]ccc2n1.

What is the InChIKey of 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide?

The InChIKey is ZJUSPLYEYFCLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O3S.C29H23F3N4O2.C29H23F3N4O.C27H21F3N4O2/c1-17-6-9-22(34-28(37)19-4-3-5-21(14-19)29(30,31)32)15-20(17)16-25-35-24-12-13-33-27(24)26(36-25)18-7-10-23(11-8-18)40(2,38)39;1-17-6-9-22(34-28(37)19-4-3-5-21(14-19)29(30,31)32)15-20(17)16-25-35-24-12-13-33-27(24)26(36-25)18-7-10-23(38-2)11-8-18;1-17-8-10-20(28(37)35-24-16-22(29(30,31)32)11-9-18(24)2)14-21(17)15-25-34-23-12-13-33-27(23)26(36-25)19-6-4-3-5-7-19;1-15-5-7-17(26(35)33-21-14-19(27(28,29)30)8-6-16(21)2)12-18(15)13-23-32-20-9-10-31-24(20)25(34-23)22-4-3-11-36-22/h3-15,33H,16H2,1-2H3,(H,34,37);3-15,33H,16H2,1-2H3,(H,34,37);3-14,16,33H,15H2,1-2H3,(H,35,37);3-12,14,31H,13H2,1-2H3,(H,33,35).

What are the key properties of 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide?

3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide has a molecular weight of 2072.12 g/mol, XLogP of 26.80, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 162140082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).