7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H20FN7O4 — CID 25055854

IUPAC7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1noc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)n1
InChIInChI=1S/C22H20FN7O4/c1-22(2,3)21-28-20(34-29-21)15-7-14(27-18-12(23)9-25-30(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-33-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31)
InChIKeyVFFPEWOGZZFEAE-UHFFFAOYSA-N
MW465.45 g/mol
LogP2.48
Rot. Bonds4

About 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 25055854) has the molecular formula C22H20FN7O4 and a molecular weight of 465.45 g/mol. Its IUPAC name is 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID25055854
Molecular FormulaC22H20FN7O4
Molecular Weight465.45 g/mol
Exact Mass465.16
IUPAC Name7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1noc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)n1
InChIInChI=1S/C22H20FN7O4/c1-22(2,3)21-28-20(34-29-21)15-7-14(27-18-12(23)9-25-30(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-33-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31)
InChIKeyVFFPEWOGZZFEAE-UHFFFAOYSA-N
XLogP2.48
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 25055854) is 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1noc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)n1.
What is the InChIKey of 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VFFPEWOGZZFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O4/c1-22(2,3)21-28-20(34-29-21)15-7-14(27-18-12(23)9-25-30(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-33-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31).
What are the key properties of 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 25055854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).