1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol

C36H47N3O6 — CID 66992266

IUPAC1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
SMILESCOc1cc(CCO[C@@H]2CCCC[C@@H]2N2CCC(O)C2)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C36H47N3O6/c1-42-35-21-25(16-19-43-32-11-5-4-10-31(32)39-18-15-26(40)23-39)13-14-33(35)44-20-17-37-22-27(41)24-45-34-12-6-9-30-36(34)28-7-2-3-8-29(28)38-30/h2-3,6-9,12-14,21,26-27,31-32,37-38,40-41H,4-5,10-11,15-20,22-24H2,1H3/t26?,27-,31+,32-/m1/s1
InChIKeyPZSBVWVJXSCDFI-QMHNBOHESA-N
MW617.79 g/mol
LogP4.67
Rot. Bonds15

About 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol

1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol (PubChem CID 66992266) has the molecular formula C36H47N3O6 and a molecular weight of 617.79 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
PubChem CID66992266
Molecular FormulaC36H47N3O6
Molecular Weight617.79 g/mol
Exact Mass617.35
IUPAC Name1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
SMILESCOc1cc(CCO[C@@H]2CCCC[C@@H]2N2CCC(O)C2)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C36H47N3O6/c1-42-35-21-25(16-19-43-32-11-5-4-10-31(32)39-18-15-26(40)23-39)13-14-33(35)44-20-17-37-22-27(41)24-45-34-12-6-9-30-36(34)28-7-2-3-8-29(28)38-30/h2-3,6-9,12-14,21,26-27,31-32,37-38,40-41H,4-5,10-11,15-20,22-24H2,1H3/t26?,27-,31+,32-/m1/s1
InChIKeyPZSBVWVJXSCDFI-QMHNBOHESA-N
XLogP4.67
TPSA108.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.79
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-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

(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 158771658
1-[(1R,2R)-2-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;dihydrochloride
CID 66992249
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[2-[2-[4-(2-aminoethoxy)-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59432629
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392
(3R)-1-[(1S,2S)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 58637355

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol (CID 66992266) is 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol is COc1cc(CCO[C@@H]2CCCC[C@@H]2N2CCC(O)C2)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol?
The InChIKey is PZSBVWVJXSCDFI-QMHNBOHESA-N. The full InChI is InChI=1S/C36H47N3O6/c1-42-35-21-25(16-19-43-32-11-5-4-10-31(32)39-18-15-26(40)23-39)13-14-33(35)44-20-17-37-22-27(41)24-45-34-12-6-9-30-36(34)28-7-2-3-8-29(28)38-30/h2-3,6-9,12-14,21,26-27,31-32,37-38,40-41H,4-5,10-11,15-20,22-24H2,1H3/t26?,27-,31+,32-/m1/s1.
What are the key properties of 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol?
1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol has a molecular weight of 617.79 g/mol, XLogP of 4.67, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 66992266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).