2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

C15H16F3N3O — CID 135209249

IUPAC2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCN1CC=C(c2cc3c(cn2)CN(C(=O)C(F)(F)F)C3)CC1
InChIInChI=1S/C15H16F3N3O/c1-20-4-2-10(3-5-20)13-6-11-8-21(9-12(11)7-19-13)14(22)15(16,17)18/h2,6-7H,3-5,8-9H2,1H3
InChIKeyHNOCQKFRRWETRY-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.20
Rot. Bonds1

About 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (PubChem CID 135209249) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
PubChem CID135209249
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCN1CC=C(c2cc3c(cn2)CN(C(=O)C(F)(F)F)C3)CC1
InChIInChI=1S/C15H16F3N3O/c1-20-4-2-10(3-5-20)13-6-11-8-21(9-12(11)7-19-13)14(22)15(16,17)18/h2,6-7H,3-5,8-9H2,1H3
InChIKeyHNOCQKFRRWETRY-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (CID 135209249) is 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is CN1CC=C(c2cc3c(cn2)CN(C(=O)C(F)(F)F)C3)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The InChIKey is HNOCQKFRRWETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-20-4-2-10(3-5-20)13-6-11-8-21(9-12(11)7-19-13)14(22)15(16,17)18/h2,6-7H,3-5,8-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone has a molecular weight of 311.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 135209249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).