2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide

C17H25N5O2 — CID 3245013

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21
InChIInChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(9-19-22)16(24)21(11-18-15)10-14(23)20-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,20,23)
InChIKeyOKARGCUWBHEYBM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide (PubChem CID 3245013) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide
PubChem CID3245013
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21
InChIInChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(9-19-22)16(24)21(11-18-15)10-14(23)20-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,20,23)
InChIKeyOKARGCUWBHEYBM-UHFFFAOYSA-N
XLogP1.80
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide (CID 3245013) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide?
The InChIKey is OKARGCUWBHEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(9-19-22)16(24)21(11-18-15)10-14(23)20-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-cyclohexylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.80, 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-cyclohexylacetamide is sourced from PubChem (CID 3245013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).