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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).