2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C30H29F2N5O3 — CID 122507182

IUPAC2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)CC(C)(C)N(C2=CCOCC2)C1=O
InChIInChI=1S/C30H29F2N5O3/c1-29(2)16-30(3,28(39)37(29)18-9-11-40-12-10-18)17-7-8-24(33-14-17)36-22-13-21(25-19(31)5-4-6-20(25)32)35-23-15-34-27(38)26(22)23/h4-9,13-14H,10-12,15-16H2,1-3H3,(H,34,38)(H,33,35,36)
InChIKeyULDFWLDSZBBVPP-UHFFFAOYSA-N
MW545.59 g/mol
LogP4.98
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 122507182) has the molecular formula C30H29F2N5O3 and a molecular weight of 545.59 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID122507182
Molecular FormulaC30H29F2N5O3
Molecular Weight545.59 g/mol
Exact Mass545.22
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)CC(C)(C)N(C2=CCOCC2)C1=O
InChIInChI=1S/C30H29F2N5O3/c1-29(2)16-30(3,28(39)37(29)18-9-11-40-12-10-18)17-7-8-24(33-14-17)36-22-13-21(25-19(31)5-4-6-20(25)32)35-23-15-34-27(38)26(22)23/h4-9,13-14H,10-12,15-16H2,1-3H3,(H,34,38)(H,33,35,36)
InChIKeyULDFWLDSZBBVPP-UHFFFAOYSA-N
XLogP4.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 122507182) is 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC1(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)CC(C)(C)N(C2=CCOCC2)C1=O.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ULDFWLDSZBBVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O3/c1-29(2)16-30(3,28(39)37(29)18-9-11-40-12-10-18)17-7-8-24(33-14-17)36-22-13-21(25-19(31)5-4-6-20(25)32)35-23-15-34-27(38)26(22)23/h4-9,13-14H,10-12,15-16H2,1-3H3,(H,34,38)(H,33,35,36).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 545.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-[1-(3,6-dihydro-2H-pyran-4-yl)-3,5,5-trimethyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 122507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).