4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide

C121H128BrN17O8 — CID 157495629

About 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide

4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide (PubChem CID 157495629) has the molecular formula C121H128BrN17O8 and a molecular weight of 2028.37 g/mol. Its IUPAC name is 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide
• PubChem CID: 157495629
• Molecular Formula: C121H128BrN17O8
• Molecular Weight: 2028.37 g/mol
• Exact Mass: 2025.93
• IUPAC Name: 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide
• SMILES: CNC(=O)c1ccc(Cn2c3c(c4cc(Br)ccc42)CN(Cc2ccccc2)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C(=O)OC(C)(C)C)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(CCC(N)=O)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(Cc2ccncc2)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CNCC3)cc1
• InChI: InChI=1S/C27H26BrN3O.C26H26N4O.C25H29N3O3.C23H26N4O2.C20H21N3O/c1-29-27(32)21-9-7-20(8-10-21)17-31-25-12-11-22(28)15-23(25)24-18-30(14-13-26(24)31)16-19-5-3-2-4-6-19;1-27-26(31)21-8-6-19(7-9-21)17-30-24-5-3-2-4-22(24)23-18-29(15-12-25(23)30)16-20-10-13-28-14-11-20;1-25(2,3)31-24(30)27-14-13-22-20(16-27)19-7-5-6-8-21(19)28(22)15-17-9-11-18(12-10-17)23(29)26-4;1-25-23(29)17-8-6-16(7-9-17)14-27-20-5-3-2-4-18(20)19-15-26(12-10-21(19)27)13-11-22(24)28;1-21-20(24)15-8-6-14(7-9-15)13-23-18-5-3-2-4-16(18)17-12-22-11-10-19(17)23/h2-12,15H,13-14,16-18H2,1H3,(H,29,32);2-11,13-14H,12,15-18H2,1H3,(H,27,31);5-12H,13-16H2,1-4H3,(H,26,29);2-9H,10-15H2,1H3,(H2,24,28)(H,25,29);2-9,22H,10-13H2,1H3,(H,21,24)
• InChIKey: BXULPEZTKCJRKE-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 277.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.37
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide?

The IUPAC name of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide (CID 157495629) is 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide.

What is the SMILES notation for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide?

The canonical SMILES for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide is CNC(=O)c1ccc(Cn2c3c(c4cc(Br)ccc42)CN(Cc2ccccc2)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C(=O)OC(C)(C)C)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(CCC(N)=O)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(Cc2ccncc2)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CNCC3)cc1.

What is the InChIKey of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide?

The InChIKey is BXULPEZTKCJRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O.C26H26N4O.C25H29N3O3.C23H26N4O2.C20H21N3O/c1-29-27(32)21-9-7-20(8-10-21)17-31-25-12-11-22(28)15-23(25)24-18-30(14-13-26(24)31)16-19-5-3-2-4-6-19;1-27-26(31)21-8-6-19(7-9-21)17-30-24-5-3-2-4-22(24)23-18-29(15-12-25(23)30)16-20-10-13-28-14-11-20;1-25(2,3)31-24(30)27-14-13-22-20(16-27)19-7-5-6-8-21(19)28(22)15-17-9-11-18(12-10-17)23(29)26-4;1-25-23(29)17-8-6-16(7-9-17)14-27-20-5-3-2-4-18(20)19-15-26(12-10-21(19)27)13-11-22(24)28;1-21-20(24)15-8-6-14(7-9-15)13-23-18-5-3-2-4-16(18)17-12-22-11-10-19(17)23/h2-12,15H,13-14,16-18H2,1H3,(H,29,32);2-11,13-14H,12,15-18H2,1H3,(H,27,31);5-12H,13-16H2,1-4H3,(H,26,29);2-9H,10-15H2,1H3,(H2,24,28)(H,25,29);2-9,22H,10-13H2,1H3,(H,21,24).

What are the key properties of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide?

4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide has a molecular weight of 2028.37 g/mol, XLogP of 18.69, 22 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide is sourced from PubChem (CID 157495629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).