2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide

C13H17BrClN5O2S — CID 157027125

IUPAC2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
SMILESO=S(=O)(CCNc1cc(Cl)nc2c(Br)cnn12)NC1CCCC1
InChIInChI=1S/C13H17BrClN5O2S/c14-10-8-17-20-12(7-11(15)18-13(10)20)16-5-6-23(21,22)19-9-3-1-2-4-9/h7-9,16,19H,1-6H2
InChIKeySDHMVXCVQUIHPG-UHFFFAOYSA-N
MW422.74 g/mol
LogP2.42
Rot. Bonds6

About 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide

2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide (PubChem CID 157027125) has the molecular formula C13H17BrClN5O2S and a molecular weight of 422.74 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
PubChem CID157027125
Molecular FormulaC13H17BrClN5O2S
Molecular Weight422.74 g/mol
Exact Mass421.00
IUPAC Name2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
SMILESO=S(=O)(CCNc1cc(Cl)nc2c(Br)cnn12)NC1CCCC1
InChIInChI=1S/C13H17BrClN5O2S/c14-10-8-17-20-12(7-11(15)18-13(10)20)16-5-6-23(21,22)19-9-3-1-2-4-9/h7-9,16,19H,1-6H2
InChIKeySDHMVXCVQUIHPG-UHFFFAOYSA-N
XLogP2.42
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 144626386
3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452773
3-bromo-5-chloro-N-(3-propylhexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90176158
3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452759
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]propane-1-sulfonamide
CID 21067986
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]cyclopentanecarboxamide
CID 21067895
N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide
CID 157027060
N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-2-cyclohexylacetamide
CID 21068045
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956
7-N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 163513531
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]propane-1-sulfonamide
CID 21067735

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide?
The IUPAC name of 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide (CID 157027125) is 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide.
What is the SMILES notation for 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide?
The canonical SMILES for 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide is O=S(=O)(CCNc1cc(Cl)nc2c(Br)cnn12)NC1CCCC1.
What is the InChIKey of 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide?
The InChIKey is SDHMVXCVQUIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN5O2S/c14-10-8-17-20-12(7-11(15)18-13(10)20)16-5-6-23(21,22)19-9-3-1-2-4-9/h7-9,16,19H,1-6H2.
What are the key properties of 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide?
2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide has a molecular weight of 422.74 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide is sourced from PubChem (CID 157027125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).