3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

C18H20N6O2 — CID 126791576

IUPAC3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3c2cnn3C)C1=O
InChIInChI=1S/C18H20N6O2/c1-11-20-16(12-10-19-23(2)17(12)21-11)22-13-8-9-24(18(13)25)14-6-4-5-7-15(14)26-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyLTFNMLAAARYPFQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.90
Rot. Bonds4

About 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 126791576) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID126791576
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3c2cnn3C)C1=O
InChIInChI=1S/C18H20N6O2/c1-11-20-16(12-10-19-23(2)17(12)21-11)22-13-8-9-24(18(13)25)14-6-4-5-7-15(14)26-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyLTFNMLAAARYPFQ-UHFFFAOYSA-N
XLogP1.90
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99816751
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
2-[2-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]ethyl]phthalazin-1-one
CID 167781051
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
CID 133491151
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136542020
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079

Frequently Asked Questions

What is the IUPAC name of 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 126791576) is 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CCC(Nc2nc(C)nc3c2cnn3C)C1=O.
What is the InChIKey of 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is LTFNMLAAARYPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-20-16(12-10-19-23(2)17(12)21-11)22-13-8-9-24(18(13)25)14-6-4-5-7-15(14)26-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 126791576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).