2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C24H23F2N5O3 — CID 118341384

IUPAC2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(OCCN4CCOCC4)cn3)c21
InChIInChI=1S/C24H23F2N5O3/c25-16-2-1-3-17(26)22(16)18-12-19(23-20(29-18)14-28-24(23)32)30-21-5-4-15(13-27-21)34-11-8-31-6-9-33-10-7-31/h1-5,12-13H,6-11,14H2,(H,28,32)(H,27,29,30)
InChIKeyFLEGIHSAMPABIX-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.12
Rot. Bonds7

About 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118341384) has the molecular formula C24H23F2N5O3 and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118341384
Molecular FormulaC24H23F2N5O3
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(OCCN4CCOCC4)cn3)c21
InChIInChI=1S/C24H23F2N5O3/c25-16-2-1-3-17(26)22(16)18-12-19(23-20(29-18)14-28-24(23)32)30-21-5-4-15(13-27-21)34-11-8-31-6-9-33-10-7-31/h1-5,12-13H,6-11,14H2,(H,28,32)(H,27,29,30)
InChIKeyFLEGIHSAMPABIX-UHFFFAOYSA-N
XLogP3.12
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118341384) is 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(OCCN4CCOCC4)cn3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is FLEGIHSAMPABIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3/c25-16-2-1-3-17(26)22(16)18-12-19(23-20(29-18)14-28-24(23)32)30-21-5-4-15(13-27-21)34-11-8-31-6-9-33-10-7-31/h1-5,12-13H,6-11,14H2,(H,28,32)(H,27,29,30).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 467.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118341384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).