2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H17F2N5O2 — CID 126642494

IUPAC2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(-n3ccc(N4CCOCC4)n3)c21
InChIInChI=1S/C20H17F2N5O2/c21-12-2-1-3-13(22)18(12)14-10-16(19-15(24-14)11-23-20(19)28)27-5-4-17(25-27)26-6-8-29-9-7-26/h1-5,10H,6-9,11H2,(H,23,28)
InChIKeyLDRXBMADVRZTOH-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 126642494) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID126642494
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(-n3ccc(N4CCOCC4)n3)c21
InChIInChI=1S/C20H17F2N5O2/c21-12-2-1-3-13(22)18(12)14-10-16(19-15(24-14)11-23-20(19)28)27-5-4-17(25-27)26-6-8-29-9-7-26/h1-5,10H,6-9,11H2,(H,23,28)
InChIKeyLDRXBMADVRZTOH-UHFFFAOYSA-N
XLogP2.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 126642494) is 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3ccc(N4CCOCC4)n3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LDRXBMADVRZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c21-12-2-1-3-13(22)18(12)14-10-16(19-15(24-14)11-23-20(19)28)27-5-4-17(25-27)26-6-8-29-9-7-26/h1-5,10H,6-9,11H2,(H,23,28).
What are the key properties of 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 397.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 126642494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).