5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C93H116N12O4 — CID 157273239

About 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157273239) has the molecular formula C93H116N12O4 and a molecular weight of 1466.03 g/mol. Its IUPAC name is 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157273239
• Molecular Formula: C93H116N12O4
• Molecular Weight: 1466.03 g/mol
• Exact Mass: 1464.92
• IUPAC Name: 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(OC(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C25H31N3O.2C23H29N3O.C22H27N3O/c1-18-6-7-23-21(14-18)22-15-27(2)13-10-24(22)28(23)16-25(20-8-11-26-12-9-20)29-17-19-4-3-5-19;1-16(2)27-23(18-7-10-24-11-8-18)15-26-21-6-5-17(3)13-19(21)20-14-25(4)12-9-22(20)26;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-4-26-22(17-7-10-23-11-8-17)15-25-20-6-5-16(2)13-18(20)19-14-24(3)12-9-21(19)25/h6-9,11-12,14,19,25H,3-5,10,13,15-17H2,1-2H3;5-8,10-11,13,16,23H,9,12,14-15H2,1-4H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;5-8,10-11,13,22H,4,9,12,14-15H2,1-3H3
• InChIKey: AYUALFWDMHZQPA-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 121.16 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.03
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157273239) is 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(OC(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN(C)C1.

What is the InChIKey of 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is AYUALFWDMHZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.2C23H29N3O.C22H27N3O/c1-18-6-7-23-21(14-18)22-15-27(2)13-10-24(22)28(23)16-25(20-8-11-26-12-9-20)29-17-19-4-3-5-19;1-16(2)27-23(18-7-10-24-11-8-18)15-26-21-6-5-17(3)13-19(21)20-14-25(4)12-9-22(20)26;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-4-26-22(17-7-10-23-11-8-17)15-25-20-6-5-16(2)13-18(20)19-14-24(3)12-9-21(19)25/h6-9,11-12,14,19,25H,3-5,10,13,15-17H2,1-2H3;5-8,10-11,13,16,23H,9,12,14-15H2,1-4H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;5-8,10-11,13,22H,4,9,12,14-15H2,1-3H3.

What are the key properties of 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1466.03 g/mol, XLogP of 18.00, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propan-2-yloxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-(2-ethoxy-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157273239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).