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

C18H20ClN5O2 — CID 3243223

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21
InChIInChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeySEDLXLQNUWUZNN-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.32
Rot. Bonds4

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

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 3243223) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID3243223
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21
InChIInChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeySEDLXLQNUWUZNN-UHFFFAOYSA-N
XLogP2.32
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.32
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-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 3243223) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is SEDLXLQNUWUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 373.84 g/mol, XLogP of 2.32, 4 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-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 3243223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).