2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C24H21F2N5O2 — CID 118341349

IUPAC2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC1(C)CC(c2ccc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)C(=O)N1
InChIInChI=1S/C24H21F2N5O2/c1-24(2)10-14(22(32)31-24)12-6-8-13(9-7-12)28-21-19-17(11-27-23(19)33)29-20(30-21)18-15(25)4-3-5-16(18)26/h3-9,14H,10-11H2,1-2H3,(H,27,33)(H,31,32)(H,28,29,30)
InChIKeyDGVSEEDCVXVMBU-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.79
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 118341349) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID118341349
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC1(C)CC(c2ccc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)C(=O)N1
InChIInChI=1S/C24H21F2N5O2/c1-24(2)10-14(22(32)31-24)12-6-8-13(9-7-12)28-21-19-17(11-27-23(19)33)29-20(30-21)18-15(25)4-3-5-16(18)26/h3-9,14H,10-11H2,1-2H3,(H,27,33)(H,31,32)(H,28,29,30)
InChIKeyDGVSEEDCVXVMBU-UHFFFAOYSA-N
XLogP3.79
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 118341349) is 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is CC1(C)CC(c2ccc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)C(=O)N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is DGVSEEDCVXVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-24(2)10-14(22(32)31-24)12-6-8-13(9-7-12)28-21-19-17(11-27-23(19)33)29-20(30-21)18-15(25)4-3-5-16(18)26/h3-9,14H,10-11H2,1-2H3,(H,27,33)(H,31,32)(H,28,29,30).
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 449.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(5,5-dimethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 118341349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).