6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H17BrN4O2 — CID 169087436

IUPAC6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC12CCC(O)(CC1)CC2)c1cnn2cc(Br)cnc12
InChIInChI=1S/C15H17BrN4O2/c16-10-7-17-12-11(8-18-20(12)9-10)13(21)19-14-1-4-15(22,5-2-14)6-3-14/h7-9,22H,1-6H2,(H,19,21)
InChIKeyFIWBAHNMASACNR-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.06
Rot. Bonds2

About 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169087436) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID169087436
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC12CCC(O)(CC1)CC2)c1cnn2cc(Br)cnc12
InChIInChI=1S/C15H17BrN4O2/c16-10-7-17-12-11(8-18-20(12)9-10)13(21)19-14-1-4-15(22,5-2-14)6-3-14/h7-9,22H,1-6H2,(H,19,21)
InChIKeyFIWBAHNMASACNR-UHFFFAOYSA-N
XLogP2.06
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087502
N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087441
6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111432963
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2984752
6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060258
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 166294299
1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117097
6-acetyl-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 12680693
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
CID 134202955

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 169087436) is 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC12CCC(O)(CC1)CC2)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FIWBAHNMASACNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-10-7-17-12-11(8-18-20(12)9-10)13(21)19-14-1-4-15(22,5-2-14)6-3-14/h7-9,22H,1-6H2,(H,19,21).
What are the key properties of 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169087436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).