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

C22H25FN4 — CID 71008306

IUPAC14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1ccc(CCn2c3c(c4cc(CF)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H25FN4/c1-15-4-5-16(13-24-15)6-10-27-20-7-9-26-8-2-3-19(26)21(20)18-11-17(12-23)14-25-22(18)27/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3
InChIKeyFKQZANGLHWTFHK-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.14
Rot. Bonds4

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

14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 71008306) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID71008306
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1ccc(CCn2c3c(c4cc(CF)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H25FN4/c1-15-4-5-16(13-24-15)6-10-27-20-7-9-26-8-2-3-19(26)21(20)18-11-17(12-23)14-25-22(18)27/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3
InChIKeyFKQZANGLHWTFHK-UHFFFAOYSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-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-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 71008306) is 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-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-methyl-3-pyridinyl)ethyl]-6,10,12-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-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1ccc(CCn2c3c(c4cc(CF)cnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is FKQZANGLHWTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-4-5-16(13-24-15)6-10-27-20-7-9-26-8-2-3-19(26)21(20)18-11-17(12-23)14-25-22(18)27/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3.
What are the key properties of 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 364.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(fluoromethyl)-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 71008306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).