5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene

C15H9ClF2N6 — CID 163302560

IUPAC5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
SMILESFc1cccc(F)c1C1=Nc2c(n[nH]c2Cl)-c2cnn3c2N1CC3
InChIInChI=1S/C15H9ClF2N6/c16-13-12-11(21-22-13)7-6-19-24-5-4-23(15(7)24)14(20-12)10-8(17)2-1-3-9(10)18/h1-3,6H,4-5H2,(H,21,22)
InChIKeySFQYTRHHEPVQKL-UHFFFAOYSA-N
MW346.73 g/mol
LogP3.12
Rot. Bonds1

About 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene

5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene (PubChem CID 163302560) has the molecular formula C15H9ClF2N6 and a molecular weight of 346.73 g/mol. Its IUPAC name is 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene.

Molecular Properties

Compound Name5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
PubChem CID163302560
Molecular FormulaC15H9ClF2N6
Molecular Weight346.73 g/mol
Exact Mass346.05
IUPAC Name5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
SMILESFc1cccc(F)c1C1=Nc2c(n[nH]c2Cl)-c2cnn3c2N1CC3
InChIInChI=1S/C15H9ClF2N6/c16-13-12-11(21-22-13)7-6-19-24-5-4-23(15(7)24)14(20-12)10-8(17)2-1-3-9(10)18/h1-3,6H,4-5H2,(H,21,22)
InChIKeySFQYTRHHEPVQKL-UHFFFAOYSA-N
XLogP3.12
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene 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

7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole
CID 163302557
8-(2-Chloro-6-fluoro-4-methylphenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302563
8-(2,6-Difluorophenyl)-5-methyl-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302567
8-(2-Fluoro-6-methylphenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302568
8-(4-Chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,14-tetraene
CID 163302571
8-(2-Chloro-6-fluorophenyl)-5-methyl-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302593
Lrrk2-IN-8
CID 163302597
8-(2-Fluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
CID 163302599
8-(2,6-Difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
CID 163302601
2,4-Difluoro-3-(3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaen-8-yl)benzonitrile
CID 163302604
(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
CID 163302640
8-(3-Chloro-2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
CID 163302647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene?
The IUPAC name of 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene (CID 163302560) is 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene.
What is the SMILES notation for 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene?
The canonical SMILES for 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene is Fc1cccc(F)c1C1=Nc2c(n[nH]c2Cl)-c2cnn3c2N1CC3.
What is the InChIKey of 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene?
The InChIKey is SFQYTRHHEPVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N6/c16-13-12-11(21-22-13)7-6-19-24-5-4-23(15(7)24)14(20-12)10-8(17)2-1-3-9(10)18/h1-3,6H,4-5H2,(H,21,22).
What are the key properties of 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene?
5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene has a molecular weight of 346.73 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2,6-difluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene is sourced from PubChem (CID 163302560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).