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

C24H24F2N6O — CID 166987668

IUPAC2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CCN[C@@](C)(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1
InChIInChI=1S/C24H24F2N6O/c1-24(13-32(2)9-8-29-24)14-6-7-20(27-11-14)31-18-10-17(21-15(25)4-3-5-16(21)26)30-19-12-28-23(33)22(18)19/h3-7,10-11,29H,8-9,12-13H2,1-2H3,(H,28,33)(H,27,30,31)/t24-/m1/s1
InChIKeyGUGAZOOXSXFSBO-XMMPIXPASA-N
MW450.49 g/mol
LogP3.16
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 166987668) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID166987668
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CCN[C@@](C)(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1
InChIInChI=1S/C24H24F2N6O/c1-24(13-32(2)9-8-29-24)14-6-7-20(27-11-14)31-18-10-17(21-15(25)4-3-5-16(21)26)30-19-12-28-23(33)22(18)19/h3-7,10-11,29H,8-9,12-13H2,1-2H3,(H,28,33)(H,27,30,31)/t24-/m1/s1
InChIKeyGUGAZOOXSXFSBO-XMMPIXPASA-N
XLogP3.16
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-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-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 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) is 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-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-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CN1CCN[C@@](C)(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GUGAZOOXSXFSBO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-24(13-32(2)9-8-29-24)14-6-7-20(27-11-14)31-18-10-17(21-15(25)4-3-5-16(21)26)30-19-12-28-23(33)22(18)19/h3-7,10-11,29H,8-9,12-13H2,1-2H3,(H,28,33)(H,27,30,31)/t24-/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 450.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 166987668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).