2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C18H19FN4O2 — CID 129277498

IUPAC2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CC[C@@H](Oc3cccnc3)[C@@H](F)C1)CNC2=O
InChIInChI=1S/C18H19FN4O2/c1-11-7-13-15(9-21-18(13)24)22-17(11)23-6-4-16(14(19)10-23)25-12-3-2-5-20-8-12/h2-3,5,7-8,14,16H,4,6,9-10H2,1H3,(H,21,24)/t14-,16+/m0/s1
InChIKeyOGEVOBRANMOPCT-GOEBONIOSA-N
MW342.37 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277498) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277498
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CC[C@@H](Oc3cccnc3)[C@@H](F)C1)CNC2=O
InChIInChI=1S/C18H19FN4O2/c1-11-7-13-15(9-21-18(13)24)22-17(11)23-6-4-16(14(19)10-23)25-12-3-2-5-20-8-12/h2-3,5,7-8,14,16H,4,6,9-10H2,1H3,(H,21,24)/t14-,16+/m0/s1
InChIKeyOGEVOBRANMOPCT-GOEBONIOSA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277498) is 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CC[C@@H](Oc3cccnc3)[C@@H](F)C1)CNC2=O.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OGEVOBRANMOPCT-GOEBONIOSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-7-13-15(9-21-18(13)24)22-17(11)23-6-4-16(14(19)10-23)25-12-3-2-5-20-8-12/h2-3,5,7-8,14,16H,4,6,9-10H2,1H3,(H,21,24)/t14-,16+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 342.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).