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

C24H23F2N5O — CID 129065079

IUPAC2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESC[C@@H]1CCCCN1c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C24H23F2N5O/c1-14-5-2-3-10-31(14)15-8-9-21(27-12-15)30-19-11-18(22-16(25)6-4-7-17(22)26)29-20-13-28-24(32)23(19)20/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,28,32)(H,27,29,30)/t14-/m1/s1
InChIKeyMLSRFSCXMZQDLE-CQSZACIVSA-N
MW435.48 g/mol
LogP4.79
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129065079) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129065079
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESC[C@@H]1CCCCN1c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C24H23F2N5O/c1-14-5-2-3-10-31(14)15-8-9-21(27-12-15)30-19-11-18(22-16(25)6-4-7-17(22)26)29-20-13-28-24(32)23(19)20/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,28,32)(H,27,29,30)/t14-/m1/s1
InChIKeyMLSRFSCXMZQDLE-CQSZACIVSA-N
XLogP4.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-4-[[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341755
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365
2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347888
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-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166987668
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 118341436
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
3-fluoro-2-[4-[[5-[(5R)-1-oxa-3-thia-7-azaspiro[4.4]nonan-7-yl]-2-pyridinyl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 166695227
2-(2,6-difluorophenyl)-4-[[5-[(3S)-3-methylmorpholin-4-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159802557
3-fluoro-2-[4-[[5-[(5R)-3-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridinyl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 122520409
ethane;2-[4-[[5-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 145146718
2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166989018

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129065079) is 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-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-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is C[C@@H]1CCCCN1c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MLSRFSCXMZQDLE-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-14-5-2-3-10-31(14)15-8-9-21(27-12-15)30-19-11-18(22-16(25)6-4-7-17(22)26)29-20-13-28-24(32)23(19)20/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,28,32)(H,27,29,30)/t14-/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 435.48 g/mol, XLogP of 4.79, 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-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129065079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).