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

C22H23F3N4 — CID 67433598

IUPAC14-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN2CCCC12
InChIInChI=1S/C22H23F3N4/c1-14-11-16-20-17-3-2-8-28(17)9-7-18(20)29(21(16)27-12-14)10-6-15-4-5-19(26-13-15)22(23,24)25/h4-5,11-13,17H,2-3,6-10H2,1H3
InChIKeyVYKBUGNWAJLELT-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.69
Rot. Bonds3

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

14-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 67433598) has the molecular formula C22H23F3N4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 14-methyl-10-[2-[6-(trifluoromethyl)-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-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID67433598
Molecular FormulaC22H23F3N4
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name14-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN2CCCC12
InChIInChI=1S/C22H23F3N4/c1-14-11-16-20-17-3-2-8-28(17)9-7-18(20)29(21(16)27-12-14)10-6-15-4-5-19(26-13-15)22(23,24)25/h4-5,11-13,17H,2-3,6-10H2,1H3
InChIKeyVYKBUGNWAJLELT-UHFFFAOYSA-N
XLogP4.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-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-methyl-10-[2-[6-(trifluoromethyl)-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-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 67433598) is 14-methyl-10-[2-[6-(trifluoromethyl)-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-methyl-10-[2-[6-(trifluoromethyl)-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-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN2CCCC12.
What is the InChIKey of 14-methyl-10-[2-[6-(trifluoromethyl)-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 VYKBUGNWAJLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4/c1-14-11-16-20-17-3-2-8-28(17)9-7-18(20)29(21(16)27-12-14)10-6-15-4-5-19(26-13-15)22(23,24)25/h4-5,11-13,17H,2-3,6-10H2,1H3.
What are the key properties of 14-methyl-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-methyl-10-[2-[6-(trifluoromethyl)-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 400.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-10-[2-[6-(trifluoromethyl)-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 67433598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).