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

C23H23N5O2 — CID 18586643

IUPACN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)cnc21
InChIInChI=1S/C23H23N5O2/c1-23(2,3)28-20-18(14-25-28)22(30)27(15-24-20)26-21(29)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,19H,1-3H3,(H,26,29)
InChIKeyQGGXFFWLCKVIQJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.25
Rot. Bonds4

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

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide (PubChem CID 18586643) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
PubChem CID18586643
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)cnc21
InChIInChI=1S/C23H23N5O2/c1-23(2,3)28-20-18(14-25-28)22(30)27(15-24-20)26-21(29)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,19H,1-3H3,(H,26,29)
InChIKeyQGGXFFWLCKVIQJ-UHFFFAOYSA-N
XLogP3.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 18586642
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
CID 18586628
(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 41427200
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 16804063
(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41427203
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16881983
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethylpropanamide
CID 16881949
5-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one
CID 53314949
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 18586657
1-tert-butyl-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 75382006
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide (CID 18586643) is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide is CC(C)(C)n1ncc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)cnc21.
What is the InChIKey of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide?
The InChIKey is QGGXFFWLCKVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,3)28-20-18(14-25-28)22(30)27(15-24-20)26-21(29)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,19H,1-3H3,(H,26,29).
What are the key properties of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide?
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide has a molecular weight of 401.47 g/mol, XLogP of 3.25, 4 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)-2,2-diphenylacetamide is sourced from PubChem (CID 18586643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).