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

C19H21FN4O3 — CID 129277598

IUPAC3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3CF)C(=O)NC4)CC2)cn1
InChIInChI=1S/C19H21FN4O3/c1-26-17-3-2-14(10-21-17)27-13-4-6-24(7-5-13)18-12(9-20)8-15-16(23-18)11-22-19(15)25/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,22,25)
InChIKeyFSAOXTRERZZOTR-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.25
Rot. Bonds5

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

3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277598) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277598
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3CF)C(=O)NC4)CC2)cn1
InChIInChI=1S/C19H21FN4O3/c1-26-17-3-2-14(10-21-17)27-13-4-6-24(7-5-13)18-12(9-20)8-15-16(23-18)11-22-19(15)25/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,22,25)
InChIKeyFSAOXTRERZZOTR-UHFFFAOYSA-N
XLogP2.25
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277598) is 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3CF)C(=O)NC4)CC2)cn1.
What is the InChIKey of 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is FSAOXTRERZZOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-26-17-3-2-14(10-21-17)27-13-4-6-24(7-5-13)18-12(9-20)8-15-16(23-18)11-22-19(15)25/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,22,25).
What are the key properties of 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 372.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).