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

C24H23BrClN5O3S — CID 21066771

IUPAC3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1
InChIInChI=1S/C24H23BrClN5O3S/c1-34-17-5-4-6-18(13-17)35(32,33)30-11-9-16(10-12-30)28-23-14-22(19-7-2-3-8-21(19)26)29-24-20(25)15-27-31(23)24/h2-8,13-16,28H,9-12H2,1H3
InChIKeyYBWFEKJLXCCEQO-UHFFFAOYSA-N
MW576.90 g/mol
LogP5.09
Rot. Bonds6

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

3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066771) has the molecular formula C24H23BrClN5O3S and a molecular weight of 576.90 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066771
Molecular FormulaC24H23BrClN5O3S
Molecular Weight576.90 g/mol
Exact Mass575.04
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1
InChIInChI=1S/C24H23BrClN5O3S/c1-34-17-5-4-6-18(13-17)35(32,33)30-11-9-16(10-12-30)28-23-14-22(19-7-2-3-8-21(19)26)29-24-20(25)15-27-31(23)24/h2-8,13-16,28H,9-12H2,1H3
InChIKeyYBWFEKJLXCCEQO-UHFFFAOYSA-N
XLogP5.09
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.90
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-5-(2-chlorophenyl)-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066895
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-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066794
5-(2-chlorophenyl)-3-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441059
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
3-bromo-5-(2-chlorophenyl)-N-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066656
3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142871010
methyl 4-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-4-oxobutanoate
CID 21067367
3-bromo-5-(2-chlorophenyl)-N-[[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066812
1-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 21065443
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
[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone
CID 71222106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 21066771) is 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(S(=O)(=O)N2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YBWFEKJLXCCEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClN5O3S/c1-34-17-5-4-6-18(13-17)35(32,33)30-11-9-16(10-12-30)28-23-14-22(19-7-2-3-8-21(19)26)29-24-20(25)15-27-31(23)24/h2-8,13-16,28H,9-12H2,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 576.90 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).