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

C17H21F2N3O2 — CID 145341675

IUPAC2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(OCC3CC3(F)F)CC1)CNC2=O
InChIInChI=1S/C17H21F2N3O2/c1-10-6-13-14(8-20-16(13)23)21-15(10)22-4-2-12(3-5-22)24-9-11-7-17(11,18)19/h6,11-12H,2-5,7-9H2,1H3,(H,20,23)
InChIKeyPNLZBUCYBHOMOF-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.27
Rot. Bonds4

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

2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 145341675) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID145341675
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(OCC3CC3(F)F)CC1)CNC2=O
InChIInChI=1S/C17H21F2N3O2/c1-10-6-13-14(8-20-16(13)23)21-15(10)22-4-2-12(3-5-22)24-9-11-7-17(11,18)19/h6,11-12H,2-5,7-9H2,1H3,(H,20,23)
InChIKeyPNLZBUCYBHOMOF-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 145341675) is 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(OCC3CC3(F)F)CC1)CNC2=O.
What is the InChIKey of 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PNLZBUCYBHOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-10-6-13-14(8-20-16(13)23)21-15(10)22-4-2-12(3-5-22)24-9-11-7-17(11,18)19/h6,11-12H,2-5,7-9H2,1H3,(H,20,23).
What are the key properties of 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 337.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 145341675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).