1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C15H12F3N3O — CID 154765501

IUPAC1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1Cc2cccnc2C1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)13-4-3-10(7-20-13)6-14(22)21-8-11-2-1-5-19-12(11)9-21/h1-5,7H,6,8-9H2
InChIKeyQKYBSIKOABMXPT-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.58
Rot. Bonds2

About 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 154765501) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID154765501
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N1Cc2cccnc2C1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)13-4-3-10(7-20-13)6-14(22)21-8-11-2-1-5-19-12(11)9-21/h1-5,7H,6,8-9H2
InChIKeyQKYBSIKOABMXPT-UHFFFAOYSA-N
XLogP2.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 154765501) is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is O=C(Cc1ccc(C(F)(F)F)nc1)N1Cc2cccnc2C1.
What is the InChIKey of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is QKYBSIKOABMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)13-4-3-10(7-20-13)6-14(22)21-8-11-2-1-5-19-12(11)9-21/h1-5,7H,6,8-9H2.
What are the key properties of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 307.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 154765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).