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

C17H25N5O2 — CID 18586593

IUPACN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21
InChIInChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(10-19-22)16(24)21(11-18-15)20-14(23)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,20,23)
InChIKeySIXYKMQLVOQSBP-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.39
Rot. Bonds3

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

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide (PubChem CID 18586593) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide
PubChem CID18586593
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21
InChIInChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(10-19-22)16(24)21(11-18-15)20-14(23)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,20,23)
InChIKeySIXYKMQLVOQSBP-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide (CID 18586593) is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide is CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21.
What is the InChIKey of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide?
The InChIKey is SIXYKMQLVOQSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(10-19-22)16(24)21(11-18-15)20-14(23)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,20,23).
What are the key properties of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide?
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 18586593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).