23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione

C24H20FN3O3 — CID 157304805

IUPAC23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione
SMILESCC12Oc3ccc(cc3CC1=O)Nc1nc(ncc1F)Cc1cccc(c1)CCC2=O
InChIInChI=1S/C24H20FN3O3/c1-24-20(29)8-5-14-3-2-4-15(9-14)10-22-26-13-18(25)23(28-22)27-17-6-7-19(31-24)16(11-17)12-21(24)30/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,26,27,28)
InChIKeyBCIGLAGMMORQNE-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.73
Rot. Bonds

About 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione

23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione (PubChem CID 157304805) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione.

Molecular Properties

Compound Name23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione
PubChem CID157304805
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione
SMILESCC12Oc3ccc(cc3CC1=O)Nc1nc(ncc1F)Cc1cccc(c1)CCC2=O
InChIInChI=1S/C24H20FN3O3/c1-24-20(29)8-5-14-3-2-4-15(9-14)10-22-26-13-18(25)23(28-22)27-17-6-7-19(31-24)16(11-17)12-21(24)30/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,26,27,28)
InChIKeyBCIGLAGMMORQNE-UHFFFAOYSA-N
XLogP3.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione 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

29-fluoro-10-methyl-32-oxa-2,8,12,16,25,27,30-heptazapentacyclo[24.3.1.13,7.16,10.120,24]tritriaconta-1(30),3(33),4,6,20(31),21,23,26,28-nonaene-9,11,17-trione
CID 71715460
6-fluoro-2,4,8,18,22-pentazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaene;bis(2,2,2-trifluoroacetic acid)
CID 87195890
6-fluoro-2,4,8,18,22-pentazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-amine;tris(2,2,2-trifluoroacetic acid)
CID 86636279
31-fluoro-10-methyl-21,21-dioxo-34-oxa-21λ6-thia-8,12,20,27,29,32-hexazapentacyclo[26.3.1.13,7.16,10.122,26]pentatriaconta-1(32),3(35),4,6,22,24,26(33),28,30-nonaene-9,11,17-trione
CID 160639598
2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-amine
CID 66897610
3-amino-N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 86636144
6-chloro-17-(4-methylpiperazin-1-yl)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene;2,2,2-trifluoroacetic acid
CID 56946618
(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)methanamine;pyrrolidine
CID 143884716
1-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-3-(5-chloro-1,3-thiazol-2-yl)urea;2,2,2-trifluoroacetic acid
CID 87656938
5-fluoro-11-methyl-1,4,7,9,13,22,24,30-octazapentacyclo[22.2.2.12,6.18,12.114,18]hentriaconta-2(31),3,5,8,10,12(30),14,16,18(29)-nonaen-23-one
CID 166870936
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
2-(4-chloro-19-oxo-18-oxa-2,6,8,20,25-pentazapentacyclo[14.6.1.13,7.19,13.017,21]pentacosa-1(23),3(25),4,6,9,11,13(24),16,21-nonaen-20-yl)propanoic acid
CID 66896707

Frequently Asked Questions

What is the IUPAC name of 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione?
The IUPAC name of 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione (CID 157304805) is 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione.
What is the SMILES notation for 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione?
The canonical SMILES for 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione is CC12Oc3ccc(cc3CC1=O)Nc1nc(ncc1F)Cc1cccc(c1)CCC2=O.
What is the InChIKey of 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione?
The InChIKey is BCIGLAGMMORQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-24-20(29)8-5-14-3-2-4-15(9-14)10-22-26-13-18(25)23(28-22)27-17-6-7-19(31-24)16(11-17)12-21(24)30/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,26,27,28).
What are the key properties of 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione?
23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione has a molecular weight of 417.44 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-fluoro-10-methyl-26-oxa-2,21,24-triazapentacyclo[18.3.1.13,7.16,10.114,18]heptacosa-1(24),3(27),4,6,14(25),15,17,20,22-nonaene-9,11-dione is sourced from PubChem (CID 157304805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).