6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C23H18F2N4O2 — CID 118347949

IUPAC6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2cc(-c3c(F)cccc3F)nc(Nc3ccc([C@H]4CCNC4=O)cc3)c21
InChIInChI=1S/C23H18F2N4O2/c24-16-2-1-3-17(25)20(16)18-10-13-11-27-23(31)19(13)21(29-18)28-14-6-4-12(5-7-14)15-8-9-26-22(15)30/h1-7,10,15H,8-9,11H2,(H,26,30)(H,27,31)(H,28,29)/t15-/m1/s1
InChIKeyBYKCWSLQEKMMBE-OAHLLOKOSA-N
MW420.42 g/mol
LogP3.62
Rot. Bonds4

About 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 118347949) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID118347949
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2cc(-c3c(F)cccc3F)nc(Nc3ccc([C@H]4CCNC4=O)cc3)c21
InChIInChI=1S/C23H18F2N4O2/c24-16-2-1-3-17(25)20(16)18-10-13-11-27-23(31)19(13)21(29-18)28-14-6-4-12(5-7-14)15-8-9-26-22(15)30/h1-7,10,15H,8-9,11H2,(H,26,30)(H,27,31)(H,28,29)/t15-/m1/s1
InChIKeyBYKCWSLQEKMMBE-OAHLLOKOSA-N
XLogP3.62
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166989018
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118347941
2-(2,6-difluorophenyl)-4-[4-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 144913307
2-(2,6-difluorophenyl)-4-[4-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118347786
2-(2,6-difluorophenyl)-4-[4-(3-ethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341442
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-fluoro-3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 53252273
2-(2-chloro-6-fluorophenyl)-4-[[1-[(3R)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347871
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
2-(2,6-difluorophenyl)-4-[(2,2-dihydroxy-1,3-dihydro-2-benzothiophen-5-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507174
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
2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507164
2-amino-2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 145146716

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 118347949) is 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is O=C1NCc2cc(-c3c(F)cccc3F)nc(Nc3ccc([C@H]4CCNC4=O)cc3)c21.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is BYKCWSLQEKMMBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-16-2-1-3-17(25)20(16)18-10-13-11-27-23(31)19(13)21(29-18)28-14-6-4-12(5-7-14)15-8-9-26-22(15)30/h1-7,10,15H,8-9,11H2,(H,26,30)(H,27,31)(H,28,29)/t15-/m1/s1.
What are the key properties of 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 420.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-[4-[(3R)-2-oxopyrrolidin-3-yl]anilino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 118347949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).