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

C24H22BrF2N5O2S — CID 143441238

IUPAC3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C24H22BrF2N5O2S/c1-15-4-2-3-5-18(15)21-13-23(32-24(30-21)19(25)14-28-32)29-17-8-10-31(11-9-17)35(33,34)22-7-6-16(26)12-20(22)27/h2-7,12-14,17,29H,8-11H2,1H3
InChIKeyAGXZEFSFFMCYRG-UHFFFAOYSA-N
MW562.44 g/mol
LogP5.01
Rot. Bonds5

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

3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143441238) has the molecular formula C24H22BrF2N5O2S and a molecular weight of 562.44 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143441238
Molecular FormulaC24H22BrF2N5O2S
Molecular Weight562.44 g/mol
Exact Mass561.06
IUPAC Name3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n2ncc(Br)c2n1
InChIInChI=1S/C24H22BrF2N5O2S/c1-15-4-2-3-5-18(15)21-13-23(32-24(30-21)19(25)14-28-32)29-17-8-10-31(11-9-17)35(33,34)22-7-6-16(26)12-20(22)27/h2-7,12-14,17,29H,8-11H2,1H3
InChIKeyAGXZEFSFFMCYRG-UHFFFAOYSA-N
XLogP5.01
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142871010
3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090497
3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441458
3-bromo-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090093
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066895
2-(3-bromo-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)phenol;1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine;methane
CID 145499914
methyl 3-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 58781234
3-bromo-5-(2-chlorophenyl)-N-[[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066869
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066771
2-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]sulfonyl-5-methylphenol
CID 142871017
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
5-(2-chlorophenyl)-3-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441059

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143441238) is 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1-c1cc(NC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AGXZEFSFFMCYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrF2N5O2S/c1-15-4-2-3-5-18(15)21-13-23(32-24(30-21)19(25)14-28-32)29-17-8-10-31(11-9-17)35(33,34)22-7-6-16(26)12-20(22)27/h2-7,12-14,17,29H,8-11H2,1H3.
What are the key properties of 3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 562.44 g/mol, XLogP of 5.01, 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-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143441238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).