2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C23H19F2N5O2 — CID 118347783

IUPAC2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC[C@H](c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O
InChIInChI=1S/C23H19F2N5O2/c1-30-8-7-13(23(30)32)12-5-6-19(26-10-12)29-17-9-16(20-14(24)3-2-4-15(20)25)28-18-11-27-22(31)21(17)18/h2-6,9-10,13H,7-8,11H2,1H3,(H,27,31)(H,26,28,29)/t13-/m1/s1
InChIKeyPDXODNZAHKJSFJ-CYBMUJFWSA-N
MW435.43 g/mol
LogP3.35
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118347783) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118347783
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC[C@H](c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O
InChIInChI=1S/C23H19F2N5O2/c1-30-8-7-13(23(30)32)12-5-6-19(26-10-12)29-17-9-16(20-14(24)3-2-4-15(20)25)28-18-11-27-22(31)21(17)18/h2-6,9-10,13H,7-8,11H2,1H3,(H,27,31)(H,26,28,29)/t13-/m1/s1
InChIKeyPDXODNZAHKJSFJ-CYBMUJFWSA-N
XLogP3.35
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-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-[(3R)-1-methyl-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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118347783) is 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-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-[(3R)-1-methyl-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-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CN1CC[C@H](c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PDXODNZAHKJSFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-30-8-7-13(23(30)32)12-5-6-19(26-10-12)29-17-9-16(20-14(24)3-2-4-15(20)25)28-18-11-27-22(31)21(17)18/h2-6,9-10,13H,7-8,11H2,1H3,(H,27,31)(H,26,28,29)/t13-/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 435.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118347783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).