4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

C22H23F3N4 — CID 67036629

IUPAC4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CC2CCCN2C1
InChIInChI=1S/C22H23F3N4/c1-14-9-17-18-13-28-7-2-3-16(28)10-19(18)29(21(17)27-11-14)8-6-15-4-5-20(26-12-15)22(23,24)25/h4-5,9,11-12,16H,2-3,6-8,10,13H2,1H3
InChIKeyGFHWQNPCMVWWPA-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.52
Rot. Bonds3

About 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (PubChem CID 67036629) has the molecular formula C22H23F3N4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
PubChem CID67036629
Molecular FormulaC22H23F3N4
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CC2CCCN2C1
InChIInChI=1S/C22H23F3N4/c1-14-9-17-18-13-28-7-2-3-16(28)10-19(18)29(21(17)27-11-14)8-6-15-4-5-20(26-12-15)22(23,24)25/h4-5,9,11-12,16H,2-3,6-8,10,13H2,1H3
InChIKeyGFHWQNPCMVWWPA-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The IUPAC name of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (CID 67036629) is 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is Cc1cnc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CC2CCCN2C1.
What is the InChIKey of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The InChIKey is GFHWQNPCMVWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4/c1-14-9-17-18-13-28-7-2-3-16(28)10-19(18)29(21(17)27-11-14)8-6-15-4-5-20(26-12-15)22(23,24)25/h4-5,9,11-12,16H,2-3,6-8,10,13H2,1H3.
What are the key properties of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene has a molecular weight of 400.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 67036629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).