10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C21H23FN4 — CID 118401275

IUPAC10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H23FN4/c22-13-16-6-5-15(14-24-16)7-12-26-19-8-11-25-10-2-4-18(25)20(19)17-3-1-9-23-21(17)26/h1,3,5-6,9,14,18H,2,4,7-8,10-13H2
InChIKeyGUFHKQBMFGONCW-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.84
Rot. Bonds4

About 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 118401275) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID118401275
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H23FN4/c22-13-16-6-5-15(14-24-16)7-12-26-19-8-11-25-10-2-4-18(25)20(19)17-3-1-9-23-21(17)26/h1,3,5-6,9,14,18H,2,4,7-8,10-13H2
InChIKeyGUFHKQBMFGONCW-UHFFFAOYSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 118401275) is 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is FCc1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is GUFHKQBMFGONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-13-16-6-5-15(14-24-16)7-12-26-19-8-11-25-10-2-4-18(25)20(19)17-3-1-9-23-21(17)26/h1,3,5-6,9,14,18H,2,4,7-8,10-13H2.
What are the key properties of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 350.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 118401275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).