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

C16H13FN6 — CID 163302568

IUPAC8-(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
SMILESCc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3
InChIInChI=1S/C16H13FN6/c1-9-3-2-4-11(17)13(9)15-20-12-8-18-21-14(12)10-7-19-23-6-5-22(15)16(10)23/h2-4,7-8H,5-6H2,1H3,(H,18,21)
InChIKeyAJZNPJHQWSPOOK-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.63
Rot. Bonds1

About 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

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 (PubChem CID 163302568) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID163302568
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name8-(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
SMILESCc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3
InChIInChI=1S/C16H13FN6/c1-9-3-2-4-11(17)13(9)15-20-12-8-18-21-14(12)10-7-19-23-6-5-22(15)16(10)23/h2-4,7-8H,5-6H2,1H3,(H,18,21)
InChIKeyAJZNPJHQWSPOOK-UHFFFAOYSA-N
XLogP2.63
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole
CID 73426638
1-(cyclopropylmethyl)-N-[(Z)-3-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-1-(methylideneamino)-3-methyliminoprop-1-enyl]-3-(4-fluorophenyl)-4-methylpyrazol-5-amine
CID 146396526
3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 152081043
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-(2,6-Difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]
CID 163302584
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC3.
What is the InChIKey of 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?
The InChIKey is AJZNPJHQWSPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c1-9-3-2-4-11(17)13(9)15-20-12-8-18-21-14(12)10-7-19-23-6-5-22(15)16(10)23/h2-4,7-8H,5-6H2,1H3,(H,18,21).
What are the key properties of 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?
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 has a molecular weight of 308.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163302568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).