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

C23H19F2N5O3 — CID 118347794

IUPAC2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCOCC4)nc3)c21
InChIInChI=1S/C23H19F2N5O3/c24-14-2-1-3-15(25)20(14)17-10-18(21-19(29-17)12-27-22(21)31)28-13-4-5-16(26-11-13)23(32)30-6-8-33-9-7-30/h1-5,10-11H,6-9,12H2,(H,27,31)(H,28,29)
InChIKeyOVQGEUKUVQYWAZ-UHFFFAOYSA-N
MW451.43 g/mol
LogP2.88
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118347794) has the molecular formula C23H19F2N5O3 and a molecular weight of 451.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118347794
Molecular FormulaC23H19F2N5O3
Molecular Weight451.43 g/mol
Exact Mass451.15
IUPAC Name2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCOCC4)nc3)c21
InChIInChI=1S/C23H19F2N5O3/c24-14-2-1-3-15(25)20(14)17-10-18(21-19(29-17)12-27-22(21)31)28-13-4-5-16(26-11-13)23(32)30-6-8-33-9-7-30/h1-5,10-11H,6-9,12H2,(H,27,31)(H,28,29)
InChIKeyOVQGEUKUVQYWAZ-UHFFFAOYSA-N
XLogP2.88
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365
1-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440025
4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]benzaldehyde;1,4-dimethylpiperidin-4-ol;ethane
CID 144913251
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166989018
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109184691
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
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
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118347794) is 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCOCC4)nc3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OVQGEUKUVQYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O3/c24-14-2-1-3-15(25)20(14)17-10-18(21-19(29-17)12-27-22(21)31)28-13-4-5-16(26-11-13)23(32)30-6-8-33-9-7-30/h1-5,10-11H,6-9,12H2,(H,27,31)(H,28,29).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 451.43 g/mol, XLogP of 2.88, 4 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-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).