1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid

C86H102F2N14O5 — CID 159878678

About 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid

1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid (PubChem CID 159878678) has the molecular formula C86H102F2N14O5 and a molecular weight of 1449.85 g/mol. Its IUPAC name is 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

• Compound Name: 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid
• PubChem CID: 159878678
• Molecular Formula: C86H102F2N14O5
• Molecular Weight: 1449.85 g/mol
• Exact Mass: 1448.81
• IUPAC Name: 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C(=O)O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(F)(F)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN(C)C)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN)c2cccnc2)CCN(C)C1
• InChI: InChI=1S/C23H30N4O.C21H23F2N3O.C21H26N4O.C21H23N3O2/c1-17-7-8-21-19(12-17)20-14-26(4)11-9-22(20)27(21)16-23(28,15-25(2)3)18-6-5-10-24-13-18;1-14-6-7-18-16(9-14)17-11-25(3)13-21(22,23)19(17)26(18)12-20(2,27)15-5-4-8-24-10-15;1-15-5-6-19-17(10-15)18-12-24(2)9-7-20(18)25(19)14-21(26,13-22)16-4-3-8-23-11-16;1-14-3-4-19-16(11-14)18-12-23(2)10-7-20(18)24(19)13-17(21(25)26)15-5-8-22-9-6-15/h5-8,10,12-13,28H,9,11,14-16H2,1-4H3;4-10,27H,11-13H2,1-3H3;3-6,8,10-11,26H,7,9,12-14,22H2,1-2H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H,25,26)
• InChIKey: NTGANFYNCCRWDH-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 211.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.85
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	5
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 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid?

The IUPAC name of 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid (CID 159878678) is 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid.

What is the SMILES notation for 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid?

The canonical SMILES for 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid is Cc1ccc2c(c1)c1c(n2CC(C(=O)O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(F)(F)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN(C)C)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN)c2cccnc2)CCN(C)C1.

What is the InChIKey of 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid?

The InChIKey is NTGANFYNCCRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.C21H23F2N3O.C21H26N4O.C21H23N3O2/c1-17-7-8-21-19(12-17)20-14-26(4)11-9-22(20)27(21)16-23(28,15-25(2)3)18-6-5-10-24-13-18;1-14-6-7-18-16(9-14)17-11-25(3)13-21(22,23)19(17)26(18)12-20(2,27)15-5-4-8-24-10-15;1-15-5-6-19-17(10-15)18-12-24(2)9-7-20(18)25(19)14-21(26,13-22)16-4-3-8-23-11-16;1-14-3-4-19-16(11-14)18-12-23(2)10-7-20(18)24(19)13-17(21(25)26)15-5-8-22-9-6-15/h5-8,10,12-13,28H,9,11,14-16H2,1-4H3;4-10,27H,11-13H2,1-3H3;3-6,8,10-11,26H,7,9,12-14,22H2,1-2H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H,25,26).

What are the key properties of 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid?

1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 1449.85 g/mol, XLogP of 11.95, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(dimethylamino)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 159878678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).