2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C21H25N5O2 — CID 167977127

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3cccc4c3CCCC4)cnc21
InChIInChI=1S/C21H25N5O2/c1-21(2,3)26-19-16(11-23-26)20(28)25(13-22-19)12-18(27)24-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10-11,13H,4-5,7,9,12H2,1-3H3,(H,24,27)
InChIKeySBWQHWKZOKYTPF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.87
Rot. Bonds3

About 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 167977127) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID167977127
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3cccc4c3CCCC4)cnc21
InChIInChI=1S/C21H25N5O2/c1-21(2,3)26-19-16(11-23-26)20(28)25(13-22-19)12-18(27)24-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10-11,13H,4-5,7,9,12H2,1-3H3,(H,24,27)
InChIKeySBWQHWKZOKYTPF-UHFFFAOYSA-N
XLogP2.87
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
CID 3243625
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-ethylphenyl)acetamide
CID 7118703
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 3245361
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)acetamide
CID 7118729
N-(1,3-benzodioxol-5-yl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 3237029
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 166302719
N-[2-(azepan-1-yl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38166568
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3237686
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethylpropanamide
CID 16881949
2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7243790

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 167977127) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3cccc4c3CCCC4)cnc21.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is SBWQHWKZOKYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,3)26-19-16(11-23-26)20(28)25(13-22-19)12-18(27)24-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10-11,13H,4-5,7,9,12H2,1-3H3,(H,24,27).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 167977127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).