1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol

C95H111ClF2N12O4 — CID 159126664

About 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol

1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 159126664) has the molecular formula C95H111ClF2N12O4 and a molecular weight of 1558.46 g/mol. Its IUPAC name is 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
• PubChem CID: 159126664
• Molecular Formula: C95H111ClF2N12O4
• Molecular Weight: 1558.46 g/mol
• Exact Mass: 1556.85
• IUPAC Name: 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
• SMILES: Cc1cc(C)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12CF.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1Cl)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12CF.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN2CCCC12
• InChI: InChI=1S/C25H30FN3O.C24H28FN3O.C23H26ClN3O.C23H27N3O/c1-17-12-18(2)23-20(13-17)22-21(7-11-28-10-5-8-25(22,28)15-26)29(23)16-24(3,30)19-6-4-9-27-14-19;1-17-6-7-20-19(13-17)22-21(8-12-27-11-4-9-24(22,27)15-25)28(20)16-23(2,29)18-5-3-10-26-14-18;1-15-11-17-21(12-18(15)24)27(14-23(2,28)16-5-3-8-25-13-16)20-7-10-26-9-4-6-19(26)22(17)20;1-16-5-6-19-18(14-16)22-20-4-3-12-25(20)13-9-21(22)26(19)15-23(2,27)17-7-10-24-11-8-17/h4,6,9,12-14,30H,5,7-8,10-11,15-16H2,1-3H3;3,5-7,10,13-14,29H,4,8-9,11-12,15-16H2,1-2H3;3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3;5-8,10-11,14,20,27H,3-4,9,12-13,15H2,1-2H3
• InChIKey: KGJDAYXTSSKGQU-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.46
LogP ≤ 5	16.99
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-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?

The IUPAC name of 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (CID 159126664) is 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.

What is the SMILES notation for 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?

The canonical SMILES for 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is Cc1cc(C)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12CF.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1Cl)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12CF.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN2CCCC12.

What is the InChIKey of 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?

The InChIKey is KGJDAYXTSSKGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O.C24H28FN3O.C23H26ClN3O.C23H27N3O/c1-17-12-18(2)23-20(13-17)22-21(7-11-28-10-5-8-25(22,28)15-26)29(23)16-24(3,30)19-6-4-9-27-14-19;1-17-6-7-20-19(13-17)22-21(8-12-27-11-4-9-24(22,27)15-25)28(20)16-23(2,29)18-5-3-10-26-14-18;1-15-11-17-21(12-18(15)24)27(14-23(2,28)16-5-3-8-25-13-16)20-7-10-26-9-4-6-19(26)22(17)20;1-16-5-6-19-18(14-16)22-20-4-3-12-25(20)13-9-21(22)26(19)15-23(2,27)17-7-10-24-11-8-17/h4,6,9,12-14,30H,5,7-8,10-11,15-16H2,1-3H3;3,5-7,10,13-14,29H,4,8-9,11-12,15-16H2,1-2H3;3,5,8,11-13,19,28H,4,6-7,9-10,14H2,1-2H3;5-8,10-11,14,20,27H,3-4,9,12-13,15H2,1-2H3.

What are the key properties of 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?

1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 1558.46 g/mol, XLogP of 16.99, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 159126664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).