3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C19H19F3N4O2 — CID 129277475

IUPAC3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc(C(F)(F)F)nc3)CC1)CNC2=O
InChIInChI=1S/C19H19F3N4O2/c1-11-8-14-15(10-24-18(14)27)25-17(11)26-6-4-12(5-7-26)28-13-2-3-16(23-9-13)19(20,21)22/h2-3,8-9,12H,4-7,10H2,1H3,(H,24,27)
InChIKeyGDRMWKGLTFQGTQ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.10
Rot. Bonds3

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

3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277475) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277475
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc(C(F)(F)F)nc3)CC1)CNC2=O
InChIInChI=1S/C19H19F3N4O2/c1-11-8-14-15(10-24-18(14)27)25-17(11)26-6-4-12(5-7-26)28-13-2-3-16(23-9-13)19(20,21)22/h2-3,8-9,12H,4-7,10H2,1H3,(H,24,27)
InChIKeyGDRMWKGLTFQGTQ-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277475) is 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc(C(F)(F)F)nc3)CC1)CNC2=O.
What is the InChIKey of 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GDRMWKGLTFQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-8-14-15(10-24-18(14)27)25-17(11)26-6-4-12(5-7-26)28-13-2-3-16(23-9-13)19(20,21)22/h2-3,8-9,12H,4-7,10H2,1H3,(H,24,27).
What are the key properties of 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 392.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).