11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene

C23H16FN5O — CID 661962

IUPAC11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
SMILESFc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccncc2)cc1
InChIInChI=1S/C23H16FN5O/c24-16-7-5-14(6-8-16)21-19-20(28-23-26-13-27-29(21)23)17-3-1-2-4-18(17)30-22(19)15-9-11-25-12-10-15/h1-13,21-22H,(H,26,27,28)
InChIKeyOLKLATOBUFSZII-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.37
Rot. Bonds2

About 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene

11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene (PubChem CID 661962) has the molecular formula C23H16FN5O and a molecular weight of 397.41 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
PubChem CID661962
Molecular FormulaC23H16FN5O
Molecular Weight397.41 g/mol
Exact Mass397.13
IUPAC Name11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
SMILESFc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccncc2)cc1
InChIInChI=1S/C23H16FN5O/c24-16-7-5-14(6-8-16)21-19-20(28-23-26-13-27-29(21)23)17-3-1-2-4-18(17)30-22(19)15-9-11-25-12-10-15/h1-13,21-22H,(H,26,27,28)
InChIKeyOLKLATOBUFSZII-UHFFFAOYSA-N
XLogP4.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The IUPAC name of 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene (CID 661962) is 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
What is the SMILES notation for 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The canonical SMILES for 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene is Fc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccncc2)cc1.
What is the InChIKey of 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The InChIKey is OLKLATOBUFSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O/c24-16-7-5-14(6-8-16)21-19-20(28-23-26-13-27-29(21)23)17-3-1-2-4-18(17)30-22(19)15-9-11-25-12-10-15/h1-13,21-22H,(H,26,27,28).
What are the key properties of 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene has a molecular weight of 397.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-9-pyridin-4-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene is sourced from PubChem (CID 661962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).