21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene

C23H13FN2 — CID 138964462

IUPAC21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene
SMILESFc1ccc2c(ccn3nc4ccc5ccc6ccccc6c5c4c23)c1
InChIInChI=1S/C23H13FN2/c24-17-8-9-19-16(13-17)11-12-26-23(19)22-20(25-26)10-7-15-6-5-14-3-1-2-4-18(14)21(15)22/h1-13H
InChIKeyQYWXDCJJESOEDB-UHFFFAOYSA-N
MW336.37 g/mol
LogP6.09
Rot. Bonds

About 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene

21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene (PubChem CID 138964462) has the molecular formula C23H13FN2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene.

Molecular Properties

Compound Name21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene
PubChem CID138964462
Molecular FormulaC23H13FN2
Molecular Weight336.37 g/mol
Exact Mass336.11
IUPAC Name21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene
SMILESFc1ccc2c(ccn3nc4ccc5ccc6ccccc6c5c4c23)c1
InChIInChI=1S/C23H13FN2/c24-17-8-9-19-16(13-17)11-12-26-23(19)22-20(25-26)10-7-15-6-5-14-3-1-2-4-18(14)21(15)22/h1-13H
InChIKeyQYWXDCJJESOEDB-UHFFFAOYSA-N
XLogP6.09
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene 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

Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
Naphtho(2,1-f)quinoline
CID 9173
Naphtho(2,1,8-def)quinoline
CID 9408
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640

Frequently Asked Questions

What is the IUPAC name of 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene?
The IUPAC name of 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene (CID 138964462) is 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene.
What is the SMILES notation for 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene?
The canonical SMILES for 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene is Fc1ccc2c(ccn3nc4ccc5ccc6ccccc6c5c4c23)c1.
What is the InChIKey of 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene?
The InChIKey is QYWXDCJJESOEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN2/c24-17-8-9-19-16(13-17)11-12-26-23(19)22-20(25-26)10-7-15-6-5-14-3-1-2-4-18(14)21(15)22/h1-13H.
What are the key properties of 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene?
21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene has a molecular weight of 336.37 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene is sourced from PubChem (CID 138964462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).