1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol

C97H103Cl4N13O8 — CID 160663749

IUPAC1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cccn1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnn1
InChIInChI=1S/C26H32ClN3O2.2C24H24ClN3O2.C23H23ClN4O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;25-17-7-10-23-22(13-17)21-4-1-3-20(24(21)27-23)16-5-8-19(9-6-16)30-15-18(29)14-28-12-2-11-26-28;25-17-6-9-23-22(12-17)21-3-1-2-20(24(21)27-23)16-4-7-19(8-5-16)30-14-18(29)13-28-11-10-26-15-28;24-16-6-9-22-21(12-16)20-3-1-2-19(23(20)26-22)15-4-7-18(8-5-15)30-14-17(29)13-28-11-10-25-27-28/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;2,5-13,18,20,27,29H,1,3-4,14-15H2;4-12,15,18,20,27,29H,1-3,13-14H2;4-12,17,19,26,29H,1-3,13-14H2
InChIKeyRMABHBKPGULHAA-UHFFFAOYSA-N
MW1720.79 g/mol
LogP18.45
Rot. Bonds24

About 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol

1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol (PubChem CID 160663749) has the molecular formula C97H103Cl4N13O8 and a molecular weight of 1720.79 g/mol. Its IUPAC name is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol
PubChem CID160663749
Molecular FormulaC97H103Cl4N13O8
Molecular Weight1720.79 g/mol
Exact Mass1717.68
IUPAC Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cccn1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnn1
InChIInChI=1S/C26H32ClN3O2.2C24H24ClN3O2.C23H23ClN4O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;25-17-7-10-23-22(13-17)21-4-1-3-20(24(21)27-23)16-5-8-19(9-6-16)30-15-18(29)14-28-12-2-11-26-28;25-17-6-9-23-22(12-17)21-3-1-2-20(24(21)27-23)16-4-7-19(8-5-16)30-14-18(29)13-28-11-10-26-15-28;24-16-6-9-22-21(12-16)20-3-1-2-19(23(20)26-22)15-4-7-18(8-5-15)30-14-17(29)13-28-11-10-25-27-28/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;2,5-13,18,20,27,29H,1,3-4,14-15H2;4-12,15,18,20,27,29H,1-3,13-14H2;4-12,17,19,26,29H,1-3,13-14H2
InChIKeyRMABHBKPGULHAA-UHFFFAOYSA-N
XLogP18.45
TPSA253.83 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.79
LogP ≤ 518.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 11525297
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11690353
N-[[4-(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-yl)phenoxy]methyl]-1-imidazol-1-yl-N-methoxymethanamine
CID 118081892
(4-chlorophenyl) 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159132065
(4-chlorophenyl) 1-[4-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;phenyl 6-chloro-1-(4-prop-2-enoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 158359134
(4-chlorophenyl) 1-[4-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 160791108
ethyl 6-chloro-1-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[4-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 160621252
benzyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethenyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159380696
ethyl 6-chloro-1-[4-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 59421549
6-chloro-1-[4-(oxiran-2-ylmethoxy)phenyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 11667524
(4-chlorophenyl) (1R)-6-chloro-1-[4-[3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 67986045
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol (CID 160663749) is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol is CN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1cccn1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Cl)cc32)cc1)Cn1ccnn1.
What is the InChIKey of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol?
The InChIKey is RMABHBKPGULHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2.2C24H24ClN3O2.C23H23ClN4O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;25-17-7-10-23-22(13-17)21-4-1-3-20(24(21)27-23)16-5-8-19(9-6-16)30-15-18(29)14-28-12-2-11-26-28;25-17-6-9-23-22(12-17)21-3-1-2-20(24(21)27-23)16-4-7-19(8-5-16)30-14-18(29)13-28-11-10-26-15-28;24-16-6-9-22-21(12-16)20-3-1-2-19(23(20)26-22)15-4-7-18(8-5-15)30-14-17(29)13-28-11-10-25-27-28/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;2,5-13,18,20,27,29H,1,3-4,14-15H2;4-12,15,18,20,27,29H,1-3,13-14H2;4-12,17,19,26,29H,1-3,13-14H2.
What are the key properties of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol?
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol has a molecular weight of 1720.79 g/mol, XLogP of 18.45, 24 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 160663749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).