N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C127H102BrCl6F7N14O13 — CID 158199155

About N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 158199155) has the molecular formula C127H102BrCl6F7N14O13 and a molecular weight of 2457.91 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• PubChem CID: 158199155
• Molecular Formula: C127H102BrCl6F7N14O13
• Molecular Weight: 2457.91 g/mol
• Exact Mass: 2452.50
• IUPAC Name: N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• SMILES: COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(Br)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1.O=C(O)c1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(F)cc2)cc1
• InChI: InChI=1S/C26H21ClF3N3O3.C26H21ClF3N3O2.C25H21BrClN3O2.C25H21Cl2N3O2.C25H18ClFN2O4/c1-35-18-7-2-15(3-8-18)24-23-20(21-14-16(27)4-11-22(21)32-23)12-13-33(24)25(34)31-17-5-9-19(10-6-17)36-26(28,29)30;1-35-17-9-6-15(7-10-17)24-23-18(19-14-16(27)8-11-21(19)31-23)12-13-33(24)25(34)32-22-5-3-2-4-20(22)26(28,29)30;2*1-32-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)29-23)12-13-30(24)25(31)28-18-7-4-16(26)5-8-18;26-16-5-10-21-20(13-16)19-11-12-29(25(32)33-18-8-6-17(27)7-9-18)23(22(19)28-21)14-1-3-15(4-2-14)24(30)31/h2-11,14,24,32H,12-13H2,1H3,(H,31,34);2-11,14,24,31H,12-13H2,1H3,(H,32,34);2*2-11,14,24,29H,12-13H2,1H3,(H,28,31);1-10,13,23,28H,11-12H2,(H,30,31)
• InChIKey: GASIGFMAFUHCIV-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 321.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.91
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The IUPAC name of N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 158199155) is N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(Br)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1.O=C(O)c1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(F)cc2)cc1.

What is the InChIKey of N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The InChIKey is GASIGFMAFUHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O3.C26H21ClF3N3O2.C25H21BrClN3O2.C25H21Cl2N3O2.C25H18ClFN2O4/c1-35-18-7-2-15(3-8-18)24-23-20(21-14-16(27)4-11-22(21)32-23)12-13-33(24)25(34)31-17-5-9-19(10-6-17)36-26(28,29)30;1-35-17-9-6-15(7-10-17)24-23-18(19-14-16(27)8-11-21(19)31-23)12-13-33(24)25(34)32-22-5-3-2-4-20(22)26(28,29)30;2*1-32-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)29-23)12-13-30(24)25(31)28-18-7-4-16(26)5-8-18;26-16-5-10-21-20(13-16)19-11-12-29(25(32)33-18-8-6-17(27)7-9-18)23(22(19)28-21)14-1-3-15(4-2-14)24(30)31/h2-11,14,24,32H,12-13H2,1H3,(H,31,34);2-11,14,24,31H,12-13H2,1H3,(H,32,34);2*2-11,14,24,29H,12-13H2,1H3,(H,28,31);1-10,13,23,28H,11-12H2,(H,30,31).

What are the key properties of N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 2457.91 g/mol, XLogP of 33.18, 16 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;4-[6-chloro-2-(4-fluorophenoxy)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-chloro-1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 158199155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).