(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione

C24H24FN5O3 — CID 176732665

IUPAC(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione
SMILESCc1cc2c([nH]1)/C=C1\C(=O)Nc3c(F)cc(cc31)-c1cn(C)nc1COC[C@@H](C)N(C)C2=O
InChIInChI=1S/C24H24FN5O3/c1-12-5-17-20(26-12)8-16-15-6-14(7-19(25)22(15)27-23(16)31)18-9-29(3)28-21(18)11-33-10-13(2)30(4)24(17)32/h5-9,13,26H,10-11H2,1-4H3,(H,27,31)/b16-8+/t13-/m1/s1
InChIKeyQZHQFBVDTHQEOB-WJHGTXIHSA-N
MW449.49 g/mol
LogP3.35
Rot. Bonds

About (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione

(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione (PubChem CID 176732665) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione.

Molecular Properties

Compound Name(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione
PubChem CID176732665
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione
SMILESCc1cc2c([nH]1)/C=C1\C(=O)Nc3c(F)cc(cc31)-c1cn(C)nc1COC[C@@H](C)N(C)C2=O
InChIInChI=1S/C24H24FN5O3/c1-12-5-17-20(26-12)8-16-15-6-14(7-19(25)22(15)27-23(16)31)18-9-29(3)28-21(18)11-33-10-13(2)30(4)24(17)32/h5-9,13,26H,10-11H2,1-4H3,(H,27,31)/b16-8+/t13-/m1/s1
InChIKeyQZHQFBVDTHQEOB-WJHGTXIHSA-N
XLogP3.35
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione 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 (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione?
The IUPAC name of (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione (CID 176732665) is (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione.
What is the SMILES notation for (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione?
The canonical SMILES for (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione is Cc1cc2c([nH]1)/C=C1\C(=O)Nc3c(F)cc(cc31)-c1cn(C)nc1COC[C@@H](C)N(C)C2=O.
What is the InChIKey of (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione?
The InChIKey is QZHQFBVDTHQEOB-WJHGTXIHSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-12-5-17-20(26-12)8-16-15-6-14(7-19(25)22(15)27-23(16)31)18-9-29(3)28-21(18)11-33-10-13(2)30(4)24(17)32/h5-9,13,26H,10-11H2,1-4H3,(H,27,31)/b16-8+/t13-/m1/s1.
What are the key properties of (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione?
(10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione has a molecular weight of 449.49 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,18E)-23-fluoro-4,10,11,15-tetramethyl-8-oxa-4,5,11,16,21-pentazapentacyclo[17.5.2.02,6.013,17.022,26]hexacosa-1(25),2,5,13(17),14,18,22(26),23-octaene-12,20-dione is sourced from PubChem (CID 176732665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).