14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C22H25FN4O — CID 71007607

IUPAC14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCOc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H25FN4O/c1-28-20-7-4-15(14-24-20)8-12-27-18-9-11-26-10-2-3-17(26)21(18)22-19(27)6-5-16(13-23)25-22/h4-7,14,17H,2-3,8-13H2,1H3
InChIKeyCJPLBSIYAMLSJB-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.85
Rot. Bonds5

About 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 71007607) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID71007607
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCOc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H25FN4O/c1-28-20-7-4-15(14-24-20)8-12-27-18-9-11-26-10-2-3-17(26)21(18)22-19(27)6-5-16(13-23)25-22/h4-7,14,17H,2-3,8-13H2,1H3
InChIKeyCJPLBSIYAMLSJB-UHFFFAOYSA-N
XLogP3.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 71007607) is 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is COc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cn1.
What is the InChIKey of 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is CJPLBSIYAMLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-28-20-7-4-15(14-24-20)8-12-27-18-9-11-26-10-2-3-17(26)21(18)22-19(27)6-5-16(13-23)25-22/h4-7,14,17H,2-3,8-13H2,1H3.
What are the key properties of 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 380.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 71007607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).