5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C19H23FN4O2 — CID 143587654

IUPAC5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC23CCC(C)(CC2)CC3)n2ncc(F)c2n1
InChIInChI=1S/C19H23FN4O2/c1-12(25)14-9-15(24-16(23-14)13(20)10-22-24)17(26)21-11-19-6-3-18(2,4-7-19)5-8-19/h9-10H,3-8,11H2,1-2H3,(H,21,26)
InChIKeyJGORWNPDFIAQAT-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.16
Rot. Bonds4

About 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 143587654) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID143587654
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC23CCC(C)(CC2)CC3)n2ncc(F)c2n1
InChIInChI=1S/C19H23FN4O2/c1-12(25)14-9-15(24-16(23-14)13(20)10-22-24)17(26)21-11-19-6-3-18(2,4-7-19)5-8-19/h9-10H,3-8,11H2,1-2H3,(H,21,26)
InChIKeyJGORWNPDFIAQAT-UHFFFAOYSA-N
XLogP3.16
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 143587654) is 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(=O)c1cc(C(=O)NCC23CCC(C)(CC2)CC3)n2ncc(F)c2n1.
What is the InChIKey of 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is JGORWNPDFIAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(25)14-9-15(24-16(23-14)13(20)10-22-24)17(26)21-11-19-6-3-18(2,4-7-19)5-8-19/h9-10H,3-8,11H2,1-2H3,(H,21,26).
What are the key properties of 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-fluoro-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).