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

C22H17F2N5O3 — CID 118341405

IUPAC4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCOCC4=O)cn3)c21
InChIInChI=1S/C22H17F2N5O3/c23-13-2-1-3-14(24)20(13)15-8-16(21-17(27-15)10-26-22(21)31)28-18-5-4-12(9-25-18)29-6-7-32-11-19(29)30/h1-5,8-9H,6-7,10-11H2,(H,26,31)(H,25,27,28)
InChIKeyMBDFURBNMPAMJT-UHFFFAOYSA-N
MW437.41 g/mol
LogP2.77
Rot. Bonds4

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

4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one (PubChem CID 118341405) has the molecular formula C22H17F2N5O3 and a molecular weight of 437.41 g/mol. Its IUPAC name is 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one
PubChem CID118341405
Molecular FormulaC22H17F2N5O3
Molecular Weight437.41 g/mol
Exact Mass437.13
IUPAC Name4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCOCC4=O)cn3)c21
InChIInChI=1S/C22H17F2N5O3/c23-13-2-1-3-14(24)20(13)15-8-16(21-17(27-15)10-26-22(21)31)28-18-5-4-12(9-25-18)29-6-7-32-11-19(29)30/h1-5,8-9H,6-7,10-11H2,(H,26,31)(H,25,27,28)
InChIKeyMBDFURBNMPAMJT-UHFFFAOYSA-N
XLogP2.77
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one (CID 118341405) is 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCOCC4=O)cn3)c21.
What is the InChIKey of 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one?
The InChIKey is MBDFURBNMPAMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O3/c23-13-2-1-3-14(24)20(13)15-8-16(21-17(27-15)10-26-22(21)31)28-18-5-4-12(9-25-18)29-6-7-32-11-19(29)30/h1-5,8-9H,6-7,10-11H2,(H,26,31)(H,25,27,28).
What are the key properties of 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one?
4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one has a molecular weight of 437.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 118341405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).