1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol

C21H24FN5O — CID 71008135

IUPAC1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cn1c2c(c3nc(CF)cnc31)C1CCCN1CC2)c1cccnc1
InChIInChI=1S/C21H24FN5O/c1-21(28,14-4-2-7-23-11-14)13-27-17-6-9-26-8-3-5-16(26)18(17)19-20(27)24-12-15(10-22)25-19/h2,4,7,11-12,16,28H,3,5-6,8-10,13H2,1H3
InChIKeyVGWNVEVVKYOUMS-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.90
Rot. Bonds4

About 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol

1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol (PubChem CID 71008135) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol
PubChem CID71008135
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cn1c2c(c3nc(CF)cnc31)C1CCCN1CC2)c1cccnc1
InChIInChI=1S/C21H24FN5O/c1-21(28,14-4-2-7-23-11-14)13-27-17-6-9-26-8-3-5-16(26)18(17)19-20(27)24-12-15(10-22)25-19/h2,4,7,11-12,16,28H,3,5-6,8-10,13H2,1H3
InChIKeyVGWNVEVVKYOUMS-UHFFFAOYSA-N
XLogP2.90
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol (CID 71008135) is 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol is CC(O)(Cn1c2c(c3nc(CF)cnc31)C1CCCN1CC2)c1cccnc1.
What is the InChIKey of 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol?
The InChIKey is VGWNVEVVKYOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-21(28,14-4-2-7-23-11-14)13-27-17-6-9-26-8-3-5-16(26)18(17)19-20(27)24-12-15(10-22)25-19/h2,4,7,11-12,16,28H,3,5-6,8-10,13H2,1H3.
What are the key properties of 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol?
1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol has a molecular weight of 381.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 71008135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).