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

C18H20FN5O2 — CID 3241861

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C18H20FN5O2/c1-18(2,3)24-16-14(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-4-6-13(19)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeyWCXDJHMZBTXABZ-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.80
Rot. Bonds4

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

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3241861) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID3241861
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C18H20FN5O2/c1-18(2,3)24-16-14(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-4-6-13(19)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
InChIKeyWCXDJHMZBTXABZ-UHFFFAOYSA-N
XLogP1.80
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 3241861) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WCXDJHMZBTXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-18(2,3)24-16-14(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-4-6-13(19)7-5-12/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-[(4-fluorophenyl)methyl]acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 1.80, 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3241861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).