4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one

C16H24N6O — CID 56902346

IUPAC4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(Nc2nc(C(C)C)nc3c2cnn3C)CC1=O
InChIInChI=1S/C16H24N6O/c1-5-6-22-9-11(7-13(22)23)18-15-12-8-17-21(4)16(12)20-14(19-15)10(2)3/h8,10-11H,5-7,9H2,1-4H3,(H,18,19,20)
InChIKeyOYVUCMCBGOPFEP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.91
Rot. Bonds5

About 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one

4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one (PubChem CID 56902346) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
PubChem CID56902346
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(Nc2nc(C(C)C)nc3c2cnn3C)CC1=O
InChIInChI=1S/C16H24N6O/c1-5-6-22-9-11(7-13(22)23)18-15-12-8-17-21(4)16(12)20-14(19-15)10(2)3/h8,10-11H,5-7,9H2,1-4H3,(H,18,19,20)
InChIKeyOYVUCMCBGOPFEP-UHFFFAOYSA-N
XLogP1.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one with MolForge

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Related Compounds

[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
CID 56912897
(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95721387
N-methyl-2-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanamide
CID 56886040
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95725455
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
CID 63221053
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 134712239
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol
CID 56907074
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one (CID 56902346) is 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one is CCCN1CC(Nc2nc(C(C)C)nc3c2cnn3C)CC1=O.
What is the InChIKey of 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one?
The InChIKey is OYVUCMCBGOPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-6-22-9-11(7-13(22)23)18-15-12-8-17-21(4)16(12)20-14(19-15)10(2)3/h8,10-11H,5-7,9H2,1-4H3,(H,18,19,20).
What are the key properties of 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one?
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 56902346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).