2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol

C20H21F2N5O — CID 71007686

IUPAC2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(F)cn1
InChIInChI=1S/C20H21F2N5O/c21-8-18-24-10-16-20(25-18)19-14-2-1-6-26(14)7-5-15(19)27(16)11-17(28)13-4-3-12(22)9-23-13/h3-4,9-10,14,17,28H,1-2,5-8,11H2
InChIKeyURVTUHHEIXUMJK-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.86
Rot. Bonds4

About 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol

2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 71007686) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID71007686
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(F)cn1
InChIInChI=1S/C20H21F2N5O/c21-8-18-24-10-16-20(25-18)19-14-2-1-6-26(14)7-5-15(19)27(16)11-17(28)13-4-3-12(22)9-23-13/h3-4,9-10,14,17,28H,1-2,5-8,11H2
InChIKeyURVTUHHEIXUMJK-UHFFFAOYSA-N
XLogP2.86
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol (CID 71007686) is 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(F)cn1.
What is the InChIKey of 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is URVTUHHEIXUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c21-8-18-24-10-16-20(25-18)19-14-2-1-6-26(14)7-5-15(19)27(16)11-17(28)13-4-3-12(22)9-23-13/h3-4,9-10,14,17,28H,1-2,5-8,11H2.
What are the key properties of 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 385.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 71007686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).