1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol

C90H108F4N12O4 — CID 158657303

About 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol

1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol (PubChem CID 158657303) has the molecular formula C90H108F4N12O4 and a molecular weight of 1497.93 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 158657303
• Molecular Formula: C90H108F4N12O4
• Molecular Weight: 1497.93 g/mol
• Exact Mass: 1496.86
• IUPAC Name: 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
• SMILES: CCC1Cc2c(c3cc(C)ccc3n2CC(C)(O)c2cccnc2)CN1C.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC(C(C)F)N(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1C(F)F.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1CF
• InChI: InChI=1S/C23H28FN3O.C23H29N3O.C22H25F2N3O.C22H26FN3O/c1-15-7-8-20-18(10-15)19-13-26(4)21(16(2)24)11-22(19)27(20)14-23(3,28)17-6-5-9-25-12-17;1-5-18-12-22-20(14-25(18)4)19-11-16(2)8-9-21(19)26(22)15-23(3,27)17-7-6-10-24-13-17;1-14-6-7-17-16(11-14)19-18(8-10-26(3)20(19)21(23)24)27(17)13-22(2,28)15-5-4-9-25-12-15;1-15-6-7-18-17(11-15)21-19(8-10-25(3)20(21)12-23)26(18)14-22(2,27)16-5-4-9-24-13-16/h5-10,12,16,21,28H,11,13-14H2,1-4H3;6-11,13,18,27H,5,12,14-15H2,1-4H3;4-7,9,11-12,20-21,28H,8,10,13H2,1-3H3;4-7,9,11,13,20,27H,8,10,12,14H2,1-3H3
• InChIKey: ICHMWAUWKGJWLE-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.93
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	4
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 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol (CID 158657303) is 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol.

What is the SMILES notation for 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?

The canonical SMILES for 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol is CCC1Cc2c(c3cc(C)ccc3n2CC(C)(O)c2cccnc2)CN1C.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC(C(C)F)N(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1C(F)F.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1CF.

What is the InChIKey of 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?

The InChIKey is ICHMWAUWKGJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O.C23H29N3O.C22H25F2N3O.C22H26FN3O/c1-15-7-8-20-18(10-15)19-13-26(4)21(16(2)24)11-22(19)27(20)14-23(3,28)17-6-5-9-25-12-17;1-5-18-12-22-20(14-25(18)4)19-11-16(2)8-9-21(19)26(22)15-23(3,27)17-7-6-10-24-13-17;1-14-6-7-17-16(11-14)19-18(8-10-26(3)20(19)21(23)24)27(17)13-22(2,28)15-5-4-9-25-12-15;1-15-6-7-18-17(11-15)21-19(8-10-25(3)20(21)12-23)26(18)14-22(2,27)16-5-4-9-24-13-16/h5-10,12,16,21,28H,11,13-14H2,1-4H3;6-11,13,18,27H,5,12,14-15H2,1-4H3;4-7,9,11-12,20-21,28H,8,10,13H2,1-3H3;4-7,9,11,13,20,27H,8,10,12,14H2,1-3H3.

What are the key properties of 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol?

1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol has a molecular weight of 1497.93 g/mol, XLogP of 15.78, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(difluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-(3-ethyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[3-(1-fluoroethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[1-(fluoromethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 158657303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).