10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C17H10FN7 — CID 946496

IUPAC10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccc(-n2ncc3c2ncn2c(-c4cccnc4)nnc32)cc1
InChIInChI=1S/C17H10FN7/c18-12-3-5-13(6-4-12)25-16-14(9-21-25)17-23-22-15(24(17)10-20-16)11-2-1-7-19-8-11/h1-10H
InChIKeyTZJBWLQGXAZXOJ-UHFFFAOYSA-N
MW331.31 g/mol
LogP2.66
Rot. Bonds2

About 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 946496) has the molecular formula C17H10FN7 and a molecular weight of 331.31 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID946496
Molecular FormulaC17H10FN7
Molecular Weight331.31 g/mol
Exact Mass331.10
IUPAC Name10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccc(-n2ncc3c2ncn2c(-c4cccnc4)nnc32)cc1
InChIInChI=1S/C17H10FN7/c18-12-3-5-13(6-4-12)25-16-14(9-21-25)17-23-22-15(24(17)10-20-16)11-2-1-7-19-8-11/h1-10H
InChIKeyTZJBWLQGXAZXOJ-UHFFFAOYSA-N
XLogP2.66
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 946496) is 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Fc1ccc(-n2ncc3c2ncn2c(-c4cccnc4)nnc32)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is TZJBWLQGXAZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN7/c18-12-3-5-13(6-4-12)25-16-14(9-21-25)17-23-22-15(24(17)10-20-16)11-2-1-7-19-8-11/h1-10H.
What are the key properties of 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 331.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 946496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).