2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate

C118H145N17O8 — CID 158841093

About 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate (PubChem CID 158841093) has the molecular formula C118H145N17O8 and a molecular weight of 1929.57 g/mol. Its IUPAC name is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate.

Molecular Properties

• Compound Name: 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate
• PubChem CID: 158841093
• Molecular Formula: C118H145N17O8
• Molecular Weight: 1929.57 g/mol
• Exact Mass: 1928.15
• IUPAC Name: 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate
• SMILES: Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)C(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)N(C)C)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C26H33N3O2.C25H31N3O2.C24H29N3O2.C23H28N4O2.C20H24N4/c1-17(2)19(4)26(30)31-25(20-8-11-27-12-9-20)16-29-23-7-6-18(3)14-21(23)22-15-28(5)13-10-24(22)29;1-17-6-7-21-19(14-17)20-15-27(5)13-10-22(20)28(21)16-23(18-8-11-26-12-9-18)30-24(29)25(2,3)4;1-16(2)24(28)29-23(18-7-10-25-11-8-18)15-27-21-6-5-17(3)13-19(21)20-14-26(4)12-9-22(20)27;1-16-5-6-20-18(13-16)19-14-26(4)12-9-21(19)27(20)15-22(29-23(28)25(2)3)17-7-10-24-11-8-17;1-14-3-4-19-16(11-14)17-12-23(2)10-7-20(17)24(19)13-18(21)15-5-8-22-9-6-15/h6-9,11-12,14,17,19,25H,10,13,15-16H2,1-5H3;6-9,11-12,14,23H,10,13,15-16H2,1-5H3;5-8,10-11,13,16,23H,9,12,14-15H2,1-4H3;5-8,10-11,13,22H,9,12,14-15H2,1-4H3;3-6,8-9,11,18H,7,10,12-13,21H2,1-2H3
• InChIKey: IYGGZJJTRNJSGB-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 239.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.57
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate?

The IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate (CID 158841093) is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate.

What is the SMILES notation for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate?

The canonical SMILES for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate is Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)C(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)C(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OC(=O)N(C)C)c2ccncc2)CCN(C)C1.

What is the InChIKey of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate?

The InChIKey is IYGGZJJTRNJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.C25H31N3O2.C24H29N3O2.C23H28N4O2.C20H24N4/c1-17(2)19(4)26(30)31-25(20-8-11-27-12-9-20)16-29-23-7-6-18(3)14-21(23)22-15-28(5)13-10-24(22)29;1-17-6-7-21-19(14-17)20-15-27(5)13-10-22(20)28(21)16-23(18-8-11-26-12-9-18)30-24(29)25(2,3)4;1-16(2)24(28)29-23(18-7-10-25-11-8-18)15-27-21-6-5-17(3)13-19(21)20-14-26(4)12-9-22(20)27;1-16-5-6-20-18(13-16)19-14-26(4)12-9-21(19)27(20)15-22(29-23(28)25(2)3)17-7-10-24-11-8-17;1-14-3-4-19-16(11-14)17-12-23(2)10-7-20(17)24(19)13-18(21)15-5-8-22-9-6-15/h6-9,11-12,14,17,19,25H,10,13,15-16H2,1-5H3;6-9,11-12,14,23H,10,13,15-16H2,1-5H3;5-8,10-11,13,16,23H,9,12,14-15H2,1-4H3;5-8,10-11,13,22H,9,12,14-15H2,1-4H3;3-6,8-9,11,18H,7,10,12-13,21H2,1-2H3.

What are the key properties of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate?

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate has a molecular weight of 1929.57 g/mol, XLogP of 20.65, 22 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanamine;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,3-dimethylbutanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2,2-dimethylpropanoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 2-methylpropanoate is sourced from PubChem (CID 158841093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).