1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol

C84H96ClN11O5 — CID 160663394

About 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol

1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol (PubChem CID 160663394) has the molecular formula C84H96ClN11O5 and a molecular weight of 1375.22 g/mol. Its IUPAC name is 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol.

Molecular Properties

• Compound Name: 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol
• PubChem CID: 160663394
• Molecular Formula: C84H96ClN11O5
• Molecular Weight: 1375.22 g/mol
• Exact Mass: 1373.73
• IUPAC Name: 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol
• SMILES: C=CCN1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1.CC(O)(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1.CCCN1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cc(CO)ccc3n2CC(O)c2ccncc2)C1
• InChI: InChI=1S/C22H27N3O.C22H25N3O.C20H21ClN2O.C20H23N3O2/c2*1-3-11-24-12-8-21-19(14-24)18-13-16(2)4-5-20(18)25(21)15-22(26)17-6-9-23-10-7-17;1-20(24,14-8-10-22-11-9-14)13-23-18-5-3-2-4-16(18)17-12-15(21)6-7-19(17)23;1-22-9-6-19-17(11-22)16-10-14(13-24)2-3-18(16)23(19)12-20(25)15-4-7-21-8-5-15/h4-7,9-10,13,22,26H,3,8,11-12,14-15H2,1-2H3;3-7,9-10,13,22,26H,1,8,11-12,14-15H2,2H3;6-12,24H,2-5,13H2,1H3;2-5,7-8,10,20,24-25H,6,9,11-13H2,1H3
• InChIKey: RLYVWXKVUAUZAT-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 182.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.22
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol?

The IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol (CID 160663394) is 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol.

What is the SMILES notation for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol?

The canonical SMILES for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol is C=CCN1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1.CC(O)(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1.CCCN1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cc(CO)ccc3n2CC(O)c2ccncc2)C1.

What is the InChIKey of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol?

The InChIKey is RLYVWXKVUAUZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C22H25N3O.C20H21ClN2O.C20H23N3O2/c2*1-3-11-24-12-8-21-19(14-24)18-13-16(2)4-5-20(18)25(21)15-22(26)17-6-9-23-10-7-17;1-20(24,14-8-10-22-11-9-14)13-23-18-5-3-2-4-16(18)17-12-15(21)6-7-19(17)23;1-22-9-6-19-17(11-22)16-10-14(13-24)2-3-18(16)23(19)12-20(25)15-4-7-21-8-5-15/h4-7,9-10,13,22,26H,3,8,11-12,14-15H2,1-2H3;3-7,9-10,13,22,26H,1,8,11-12,14-15H2,2H3;6-12,24H,2-5,13H2,1H3;2-5,7-8,10,20,24-25H,6,9,11-13H2,1H3.

What are the key properties of 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol?

1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol has a molecular weight of 1375.22 g/mol, XLogP of 14.20, 17 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[8-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(8-methyl-2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 160663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).