3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide

C16H20N6O3 — CID 16881891

IUPAC3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)Nc1ccon1
InChIInChI=1S/C16H20N6O3/c1-10-18-14-11(9-17-22(14)16(2,3)4)15(24)21(10)7-5-13(23)19-12-6-8-25-20-12/h6,8-9H,5,7H2,1-4H3,(H,19,20,23)
InChIKeyVUHNCHTWVTZHLL-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.67
Rot. Bonds4

About 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide

3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 16881891) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID16881891
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)Nc1ccon1
InChIInChI=1S/C16H20N6O3/c1-10-18-14-11(9-17-22(14)16(2,3)4)15(24)21(10)7-5-13(23)19-12-6-8-25-20-12/h6,8-9H,5,7H2,1-4H3,(H,19,20,23)
InChIKeyVUHNCHTWVTZHLL-UHFFFAOYSA-N
XLogP1.67
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-pyridin-4-ylpropanamide
CID 16881879
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16881898
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16881884
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-phenoxyphenyl)propanamide
CID 16881840
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide
CID 16881880
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide
CID 16881762
1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881738
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide
CID 16881771
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 16881802
5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635
N-(3,4-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882628

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide (CID 16881891) is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide is Cc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)Nc1ccon1.
What is the InChIKey of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is VUHNCHTWVTZHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-10-18-14-11(9-17-22(14)16(2,3)4)15(24)21(10)7-5-13(23)19-12-6-8-25-20-12/h6,8-9H,5,7H2,1-4H3,(H,19,20,23).
What are the key properties of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide?
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 344.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 16881891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).