(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol

C24H24N2O — CID 90644259

IUPAC(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol
SMILESCN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1
InChIInChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1
InChIKeyNJSFZRCPGDKHSE-DNQXCXABSA-N
MW356.47 g/mol
LogP3.86
Rot. Bonds

About (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol

(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol (PubChem CID 90644259) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol.

Molecular Properties

Compound Name(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol
PubChem CID90644259
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol
SMILESCN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1
InChIInChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1
InChIKeyNJSFZRCPGDKHSE-DNQXCXABSA-N
XLogP3.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol?
The IUPAC name of (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol (CID 90644259) is (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol.
What is the SMILES notation for (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol?
The canonical SMILES for (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol is CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1.
What is the InChIKey of (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol?
The InChIKey is NJSFZRCPGDKHSE-DNQXCXABSA-N. The full InChI is InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1.
What are the key properties of (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol?
(1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol has a molecular weight of 356.47 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,14R)-23-methyl-11,23-diazahexacyclo[12.7.4.01,14.03,12.05,10.015,20]pentacosa-3,5,7,9,11,15(20),16,18-octaen-17-ol is sourced from PubChem (CID 90644259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).