(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride

C24H24ClFN2O2 — CID 71458318

IUPAC(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride
SMILESCN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13.Cl
InChIInChI=1S/C24H23FN2O2.ClH/c1-27-8-7-23-13-20-16(9-15-3-2-4-19(25)22(15)26-20)12-24(23,29)21(27)10-14-5-6-17(28)11-18(14)23;/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3;1H/t21-,23-,24-;/m1./s1
InChIKeyRVKSOBLJSXCXOU-BGPJRJNSSA-N
MW426.92 g/mol
LogP3.53
Rot. Bonds

About (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride

(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride (PubChem CID 71458318) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride.

Molecular Properties

Compound Name(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride
PubChem CID71458318
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC Name(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride
SMILESCN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13.Cl
InChIInChI=1S/C24H23FN2O2.ClH/c1-27-8-7-23-13-20-16(9-15-3-2-4-19(25)22(15)26-20)12-24(23,29)21(27)10-14-5-6-17(28)11-18(14)23;/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3;1H/t21-,23-,24-;/m1./s1
InChIKeyRVKSOBLJSXCXOU-BGPJRJNSSA-N
XLogP3.53
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride 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 (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride?
The IUPAC name of (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride (CID 71458318) is (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride.
What is the SMILES notation for (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride?
The canonical SMILES for (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride is CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13.Cl.
What is the InChIKey of (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride?
The InChIKey is RVKSOBLJSXCXOU-BGPJRJNSSA-N. The full InChI is InChI=1S/C24H23FN2O2.ClH/c1-27-8-7-23-13-20-16(9-15-3-2-4-19(25)22(15)26-20)12-24(23,29)21(27)10-14-5-6-17(28)11-18(14)23;/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3;1H/t21-,23-,24-;/m1./s1.
What are the key properties of (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride?
(1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride has a molecular weight of 426.92 g/mol, XLogP of 3.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15R)-6-fluoro-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride is sourced from PubChem (CID 71458318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).