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

C15H10ClFN6 — CID 163302657

IUPAC8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
SMILESFc1cccc(Cl)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3
InChIInChI=1S/C15H10ClFN6/c16-9-2-1-3-10(17)12(9)14-20-11-7-18-21-13(11)8-6-19-23-5-4-22(14)15(8)23/h1-3,6-7H,4-5H2,(H,18,21)
InChIKeyJUOGKWLRDMFPLQ-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.98
Rot. Bonds1

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

8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene (PubChem CID 163302657) has the molecular formula C15H10ClFN6 and a molecular weight of 328.74 g/mol. Its IUPAC name is 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene.

Molecular Properties

Compound Name8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
PubChem CID163302657
Molecular FormulaC15H10ClFN6
Molecular Weight328.74 g/mol
Exact Mass328.06
IUPAC Name8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene
SMILESFc1cccc(Cl)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3
InChIInChI=1S/C15H10ClFN6/c16-9-2-1-3-10(17)12(9)14-20-11-7-18-21-13(11)8-6-19-23-5-4-22(14)15(8)23/h1-3,6-7H,4-5H2,(H,18,21)
InChIKeyJUOGKWLRDMFPLQ-UHFFFAOYSA-N
XLogP2.98
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[1-(2-chloro-6-fluorophenyl)ethenyl]-3-(4-methyl-1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 163302543
7-(5-chloro-4-methyl-1H-pyrazol-3-yl)-1-[1-(2,6-difluorophenyl)ethenyl]-2,3-dihydroimidazo[2,1-e]pyrazole
CID 163302557
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
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
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
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 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene?
The IUPAC name of 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene (CID 163302657) is 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene.
What is the SMILES notation for 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene?
The canonical SMILES for 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene is Fc1cccc(Cl)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3.
What is the InChIKey of 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene?
The InChIKey is JUOGKWLRDMFPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6/c16-9-2-1-3-10(17)12(9)14-20-11-7-18-21-13(11)8-6-19-23-5-4-22(14)15(8)23/h1-3,6-7H,4-5H2,(H,18,21).
What are the key properties of 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene?
8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene has a molecular weight of 328.74 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-fluorophenyl)-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2(6),4,7,13-pentaene is sourced from PubChem (CID 163302657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).