3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H23BrFN5O2S — CID 142871010

IUPAC3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C24H23BrFN5O2S/c1-16-4-2-3-5-20(16)22-14-23(31-24(29-22)21(25)15-27-31)28-18-10-12-30(13-11-18)34(32,33)19-8-6-17(26)7-9-19/h2-9,14-15,18,28H,10-13H2,1H3
InChIKeyNLAOOYGFYQYEBX-UHFFFAOYSA-N
MW544.45 g/mol
LogP4.87
Rot. Bonds5

About 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142871010) has the molecular formula C24H23BrFN5O2S and a molecular weight of 544.45 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142871010
Molecular FormulaC24H23BrFN5O2S
Molecular Weight544.45 g/mol
Exact Mass543.07
IUPAC Name3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C24H23BrFN5O2S/c1-16-4-2-3-5-20(16)22-14-23(31-24(29-22)21(25)15-27-31)28-18-10-12-30(13-11-18)34(32,33)19-8-6-17(26)7-9-19/h2-9,14-15,18,28H,10-13H2,1H3
InChIKeyNLAOOYGFYQYEBX-UHFFFAOYSA-N
XLogP4.87
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441238
3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090497
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066895
3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441458
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066771
5-(2-chlorophenyl)-3-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441059
3-bromo-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090093
2-[3-bromo-7-[[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142870570
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
methyl 3-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 58781234
4-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]sulfonylbenzene-1,2-diol
CID 145499769
2-(3-bromo-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)phenol;1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine;methane
CID 145499914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 142871010) is 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLAOOYGFYQYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFN5O2S/c1-16-4-2-3-5-20(16)22-14-23(31-24(29-22)21(25)15-27-31)28-18-10-12-30(13-11-18)34(32,33)19-8-6-17(26)7-9-19/h2-9,14-15,18,28H,10-13H2,1H3.
What are the key properties of 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 544.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).