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

C26H32N6O4S — CID 169087441

IUPACN-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3cnc4c(C(=O)NC56CCC(O)(CC5)CC6)cnn4c3)cc2)CC1
InChIInChI=1S/C26H32N6O4S/c1-37(35,36)31-14-12-30(13-15-31)21-4-2-19(3-5-21)20-16-27-23-22(17-28-32(23)18-20)24(33)29-25-6-9-26(34,10-7-25)11-8-25/h2-5,16-18,34H,6-15H2,1H3,(H,29,33)
InChIKeyMNZIRQHIDIAUIX-UHFFFAOYSA-N
MW524.65 g/mol
LogP2.05
Rot. Bonds5

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

N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169087441) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID169087441
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC NameN-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3cnc4c(C(=O)NC56CCC(O)(CC5)CC6)cnn4c3)cc2)CC1
InChIInChI=1S/C26H32N6O4S/c1-37(35,36)31-14-12-30(13-15-31)21-4-2-19(3-5-21)20-16-27-23-22(17-28-32(23)18-20)24(33)29-25-6-9-26(34,10-7-25)11-8-25/h2-5,16-18,34H,6-15H2,1H3,(H,29,33)
InChIKeyMNZIRQHIDIAUIX-UHFFFAOYSA-N
XLogP2.05
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087436
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
tert-butyl 4-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]piperazine-1-carboxylate;methane
CID 144698217
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
4-(methylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 67678363
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
CID 134202955
ethane;5-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 145001741
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146100718
5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 159256004
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 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) is N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCN(c2ccc(-c3cnc4c(C(=O)NC56CCC(O)(CC5)CC6)cnn4c3)cc2)CC1.
What is the InChIKey of N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MNZIRQHIDIAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-37(35,36)31-14-12-30(13-15-31)21-4-2-19(3-5-21)20-16-27-23-22(17-28-32(23)18-20)24(33)29-25-6-9-26(34,10-7-25)11-8-25/h2-5,16-18,34H,6-15H2,1H3,(H,29,33).
What are the key properties of N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169087441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).