(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol

C24H24N2O — CID 57394218

IUPAC(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol
SMILESCN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13
InChIInChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
InChIKeyKGFUJNANWKDXND-VNZMSGEBSA-N
MW356.47 g/mol
LogP3.85
Rot. Bonds

About (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol

(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol (PubChem CID 57394218) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol.

Molecular Properties

Compound Name(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol
PubChem CID57394218
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol
SMILESCN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13
InChIInChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
InChIKeyKGFUJNANWKDXND-VNZMSGEBSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol?
The IUPAC name of (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol (CID 57394218) is (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol.
What is the SMILES notation for (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol?
The canonical SMILES for (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol is CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13.
What is the InChIKey of (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol?
The InChIKey is KGFUJNANWKDXND-VNZMSGEBSA-N. The full InChI is InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1.
What are the key properties of (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol?
(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol has a molecular weight of 356.47 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol is sourced from PubChem (CID 57394218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).