1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol

C80H89ClN10O4 — CID 159558023

About 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol

1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 159558023) has the molecular formula C80H89ClN10O4 and a molecular weight of 1290.11 g/mol. Its IUPAC name is 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 159558023
• Molecular Formula: C80H89ClN10O4
• Molecular Weight: 1290.11 g/mol
• Exact Mass: 1288.68
• IUPAC Name: 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCCC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1.Cc1ccc2c3c(n(CC(O)c4cccnc4)c2c1)CCN(C)C3
• InChI: InChI=1S/C21H24N2O.C20H23N3O.C20H22N2O.C19H20ClN3O/c1-15-9-10-20-18(12-15)17-7-3-4-8-19(17)23(20)14-21(2,24)16-6-5-11-22-13-16;1-14-5-6-16-17-12-22(2)9-7-18(17)23(19(16)10-14)13-20(24)15-4-3-8-21-11-15;1-14-6-7-19-17(12-14)16-4-2-3-5-18(16)22(19)13-20(23)15-8-10-21-11-9-15;1-19(24,18-8-9-21-12-22-18)11-23-16-5-3-2-4-14(16)15-10-13(20)6-7-17(15)23/h5-6,9-13,24H,3-4,7-8,14H2,1-2H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;6-12,20,23H,2-5,13H2,1H3;6-10,12,24H,2-5,11H2,1H3
• InChIKey: MGFXYMGBIAQACS-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 168.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.11
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol (CID 159558023) is 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol.

What is the SMILES notation for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The canonical SMILES for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCCC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1.Cc1ccc2c3c(n(CC(O)c4cccnc4)c2c1)CCN(C)C3.

What is the InChIKey of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The InChIKey is MGFXYMGBIAQACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.C20H23N3O.C20H22N2O.C19H20ClN3O/c1-15-9-10-20-18(12-15)17-7-3-4-8-19(17)23(20)14-21(2,24)16-6-5-11-22-13-16;1-14-5-6-16-17-12-22(2)9-7-18(17)23(19(16)10-14)13-20(24)15-4-3-8-21-11-15;1-14-6-7-19-17(12-14)16-4-2-3-5-18(16)22(19)13-20(23)15-8-10-21-11-9-15;1-19(24,18-8-9-21-12-22-18)11-23-16-5-3-2-4-14(16)15-10-13(20)6-7-17(15)23/h5-6,9-13,24H,3-4,7-8,14H2,1-2H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;6-12,20,23H,2-5,13H2,1H3;6-10,12,24H,2-5,11H2,1H3.

What are the key properties of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 1290.11 g/mol, XLogP of 15.03, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyrimidin-4-ylpropan-2-ol;2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 159558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).