2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol

C21H23FN4O — CID 71008249

IUPAC2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3nc(CF)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C21H23FN4O/c22-12-15-3-4-18-21(24-15)20-16-2-1-10-25(16)11-7-17(20)26(18)13-19(27)14-5-8-23-9-6-14/h3-6,8-9,16,19,27H,1-2,7,10-13H2
InChIKeyGPCWRYHSGFZAKT-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.33
Rot. Bonds4

About 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol

2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol (PubChem CID 71008249) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol
PubChem CID71008249
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3nc(CF)ccc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C21H23FN4O/c22-12-15-3-4-18-21(24-15)20-16-2-1-10-25(16)11-7-17(20)26(18)13-19(27)14-5-8-23-9-6-14/h3-6,8-9,16,19,27H,1-2,7,10-13H2
InChIKeyGPCWRYHSGFZAKT-UHFFFAOYSA-N
XLogP3.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol (CID 71008249) is 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol is OC(Cn1c2c(c3nc(CF)ccc31)C1CCCN1CC2)c1ccncc1.
What is the InChIKey of 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol?
The InChIKey is GPCWRYHSGFZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-12-15-3-4-18-21(24-15)20-16-2-1-10-25(16)11-7-17(20)26(18)13-19(27)14-5-8-23-9-6-14/h3-6,8-9,16,19,27H,1-2,7,10-13H2.
What are the key properties of 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol?
2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol has a molecular weight of 366.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 71008249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).