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

C19H20F2N4O3 — CID 129277619

IUPAC3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C(F)F)C(=O)NC4)CC2)cn1
InChIInChI=1S/C19H20F2N4O3/c1-27-16-3-2-12(9-22-16)28-11-4-6-25(7-5-11)18-14(17(20)21)8-13-15(24-18)10-23-19(13)26/h2-3,8-9,11,17H,4-7,10H2,1H3,(H,23,26)
InChIKeyQUUAIAYNFGBBEF-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.71
Rot. Bonds5

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

3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277619) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277619
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C(F)F)C(=O)NC4)CC2)cn1
InChIInChI=1S/C19H20F2N4O3/c1-27-16-3-2-12(9-22-16)28-11-4-6-25(7-5-11)18-14(17(20)21)8-13-15(24-18)10-23-19(13)26/h2-3,8-9,11,17H,4-7,10H2,1H3,(H,23,26)
InChIKeyQUUAIAYNFGBBEF-UHFFFAOYSA-N
XLogP2.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277619) is 3-(difluoromethyl)-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-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3C(F)F)C(=O)NC4)CC2)cn1.
What is the InChIKey of 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QUUAIAYNFGBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-27-16-3-2-12(9-22-16)28-11-4-6-25(7-5-11)18-14(17(20)21)8-13-15(24-18)10-23-19(13)26/h2-3,8-9,11,17H,4-7,10H2,1H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 390.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).