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

C16H13FN6 — CID 163302599

IUPAC8-(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
SMILESFc1ccccc1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H13FN6/c17-12-5-2-1-4-10(12)15-20-13-9-18-21-14(13)11-8-19-23-7-3-6-22(15)16(11)23/h1-2,4-5,8-9H,3,6-7H2,(H,18,21)
InChIKeyYFZPXQKFNNVTRG-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.71
Rot. Bonds1

About 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

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 (PubChem CID 163302599) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID163302599
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name8-(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
SMILESFc1ccccc1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H13FN6/c17-12-5-2-1-4-10(12)15-20-13-9-18-21-14(13)11-8-19-23-7-3-6-22(15)16(11)23/h1-2,4-5,8-9H,3,6-7H2,(H,18,21)
InChIKeyYFZPXQKFNNVTRG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
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CID 22015484
6-Fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
CID 71571569
1-(1-(6-(1-ethyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 76311109
4-fluoro-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76329179
6-fluoro-1-(1-(6-(1-propyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332841
5-fluoro-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332843
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 89613944
1-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine
CID 44378975
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccccc1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3.
What is the InChIKey of 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?
The InChIKey is YFZPXQKFNNVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-12-5-2-1-4-10(12)15-20-13-9-18-21-14(13)11-8-19-23-7-3-6-22(15)16(11)23/h1-2,4-5,8-9H,3,6-7H2,(H,18,21).
What are the key properties of 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?
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 has a molecular weight of 308.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163302599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).