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

C18H29N5O2 — CID 16881762

IUPAC3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)NCCC(C)C
InChIInChI=1S/C18H29N5O2/c1-12(2)7-9-19-15(24)8-10-22-13(3)21-16-14(17(22)25)11-20-23(16)18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24)
InChIKeyXEPHYXDXFICIAF-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.21
Rot. Bonds6

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

3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide (PubChem CID 16881762) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide
PubChem CID16881762
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)NCCC(C)C
InChIInChI=1S/C18H29N5O2/c1-12(2)7-9-19-15(24)8-10-22-13(3)21-16-14(17(22)25)11-20-23(16)18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24)
InChIKeyXEPHYXDXFICIAF-UHFFFAOYSA-N
XLogP2.21
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1,2-oxazol-3-yl)propanamide
CID 16881891
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-(2,3,4-trifluorophenyl)propanamide
CID 16881898
N-(3,3-diphenylpropyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882187
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-phenoxyphenyl)propanamide
CID 16881840
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-(2-methylquinolin-4-yl)propanamide
CID 16881880
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-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethylpropanamide
CID 16881949
5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 16881802

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide (CID 16881762) is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide is Cc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)NCCC(C)C.
What is the InChIKey of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is XEPHYXDXFICIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)7-9-19-15(24)8-10-22-13(3)21-16-14(17(22)25)11-20-23(16)18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24).
What are the key properties of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide?
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 16881762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).