1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

C24H22F3N5O — CID 162562317

IUPAC1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2
InChIInChI=1S/C24H22F3N5O/c1-2-31-19-8-11-28-10-7-17(19)18-4-6-21(30-23(18)31)32-12-9-15(13-22(32)33)16-3-5-20(29-14-16)24(25,26)27/h3-6,9,12-14,28H,2,7-8,10-11H2,1H3
InChIKeyAKQPZQHWSLRQNA-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.98
Rot. Bonds3

About 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (PubChem CID 162562317) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
PubChem CID162562317
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2
InChIInChI=1S/C24H22F3N5O/c1-2-31-19-8-11-28-10-7-17(19)18-4-6-21(30-23(18)31)32-12-9-15(13-22(32)33)16-3-5-20(29-14-16)24(25,26)27/h3-6,9,12-14,28H,2,7-8,10-11H2,1H3
InChIKeyAKQPZQHWSLRQNA-UHFFFAOYSA-N
XLogP3.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (CID 162562317) is 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is CCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2.
What is the InChIKey of 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is AKQPZQHWSLRQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-2-31-19-8-11-28-10-7-17(19)18-4-6-21(30-23(18)31)32-12-9-15(13-22(32)33)16-3-5-20(29-14-16)24(25,26)27/h3-6,9,12-14,28H,2,7-8,10-11H2,1H3.
What are the key properties of 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 453.47 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 162562317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).