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

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

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Related Compounds

3-fluoro-7-[(4-methoxycarbonyl-1-bicyclo[2.2.2]octanyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(4-fluoro-3-methylphenyl)methanamine
CID 159289475
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-7-N-[[4-(methylsulfonylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460814
methyl 4-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 59462092
3-fluoro-7-[(4-methoxycarbonyl-1-bicyclo[2.2.2]octanyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;[3-(trifluoromethoxy)phenyl]methanamine
CID 159960070
6-(aminomethyl)-4-methyl-1,4-benzoxazin-3-one;3-fluoro-7-[(4-methoxycarbonyl-1-bicyclo[2.2.2]octanyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;hydrochloride
CID 160952040
4-[[[5-[(4-ethenyl-3-methylimino-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 145471668
methyl 4-[[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-1-methylcyclohex-3-ene-1-carboxylate
CID 70852338
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462964
4-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 70852348
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161242004
7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462597
3-fluoro-7-N-(2-methyl-3-oxobutan-2-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461807

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).