1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol

C87H103ClFN13O5 — CID 158214555

About 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol

1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol (PubChem CID 158214555) has the molecular formula C87H103ClFN13O5 and a molecular weight of 1465.32 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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol.

Molecular Properties

• Compound Name: 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol
• PubChem CID: 158214555
• Molecular Formula: C87H103ClFN13O5
• Molecular Weight: 1465.32 g/mol
• Exact Mass: 1463.79
• IUPAC Name: 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol
• SMILES: Cc1ccc(CCn2c3c(c4c(F)ccc(Cl)c42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C(=O)OC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CO)c2cccnc2)CCN(C)C1
• InChI: InChI=1S/C25H31N3O2.C21H26N4O.C21H25N3O2.C20H21ClFN3/c1-17-6-7-22-19(14-17)21-15-27(5)13-10-23(21)28(22)16-20(18-8-11-26-12-9-18)24(29)30-25(2,3)4;1-15-3-4-19-17(11-15)18-12-24(2)10-7-20(18)25(19)14-21(26,13-22)16-5-8-23-9-6-16;1-15-5-6-19-17(10-15)18-12-23(2)9-7-20(18)24(19)13-21(26,14-25)16-4-3-8-22-11-16;1-13-3-4-14(11-23-13)7-10-25-18-8-9-24(2)12-15(18)19-17(22)6-5-16(21)20(19)25/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3;3-6,8-9,11,26H,7,10,12-14,22H2,1-2H3;3-6,8,10-11,25-26H,7,9,12-14H2,1-2H3;3-6,11H,7-10,12H2,1-2H3
• InChIKey: GCMIIFNCNMNUHU-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 197.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1465.32
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	4
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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol?

The IUPAC name of 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol (CID 158214555) is 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol.

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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol?

The canonical SMILES for 1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol is Cc1ccc(CCn2c3c(c4c(F)ccc(Cl)c42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C(=O)OC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CN)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)(CO)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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol?

The InChIKey is GCMIIFNCNMNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2.C21H26N4O.C21H25N3O2.C20H21ClFN3/c1-17-6-7-22-19(14-17)21-15-27(5)13-10-23(21)28(22)16-20(18-8-11-26-12-9-18)24(29)30-25(2,3)4;1-15-3-4-19-17(11-15)18-12-24(2)10-7-20(18)25(19)14-21(26,13-22)16-5-8-23-9-6-16;1-15-5-6-19-17(10-15)18-12-23(2)9-7-20(18)24(19)13-21(26,14-25)16-4-3-8-22-11-16;1-13-3-4-14(11-23-13)7-10-25-18-8-9-24(2)12-15(18)19-17(22)6-5-16(21)20(19)25/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3;3-6,8-9,11,26H,7,10,12-14,22H2,1-2H3;3-6,8,10-11,25-26H,7,9,12-14H2,1-2H3;3-6,11H,7-10,12H2,1-2H3.

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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol?

1-amino-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol has a molecular weight of 1465.32 g/mol, XLogP of 13.22, 15 rotatable bonds, 4 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-4-ylpropan-2-ol;tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;6-chloro-9-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropane-1,2-diol is sourced from PubChem (CID 158214555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).