1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol

C22H24ClFN4O — CID 118011813

IUPAC1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(CF)nc1
InChIInChI=1S/C22H24ClFN4O/c1-22(29,14-4-5-16(10-24)25-11-14)13-28-19-6-8-27-7-2-3-18(27)20(19)17-9-15(23)12-26-21(17)28/h4-5,9,11-12,18,29H,2-3,6-8,10,13H2,1H3
InChIKeyNARFPIODGYJWNJ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.15
Rot. Bonds4

About 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol

1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol (PubChem CID 118011813) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol
PubChem CID118011813
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(CF)nc1
InChIInChI=1S/C22H24ClFN4O/c1-22(29,14-4-5-16(10-24)25-11-14)13-28-19-6-8-27-7-2-3-18(27)20(19)17-9-15(23)12-26-21(17)28/h4-5,9,11-12,18,29H,2-3,6-8,10,13H2,1H3
InChIKeyNARFPIODGYJWNJ-UHFFFAOYSA-N
XLogP4.15
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol (CID 118011813) is 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(CF)nc1.
What is the InChIKey of 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol?
The InChIKey is NARFPIODGYJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-22(29,14-4-5-16(10-24)25-11-14)13-28-19-6-8-27-7-2-3-18(27)20(19)17-9-15(23)12-26-21(17)28/h4-5,9,11-12,18,29H,2-3,6-8,10,13H2,1H3.
What are the key properties of 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol?
1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol has a molecular weight of 414.91 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).