N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide

C24H27BrN6O2S — CID 90939764

IUPACN-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCCc1c(Br)c(N2CCC(CNS(C)(=O)=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H27BrN6O2S/c1-3-21-22(25)24(30-10-8-16(9-11-30)13-28-34(2,32)33)29-23-19(15-27-31(21)23)18-12-17-6-4-5-7-20(17)26-14-18/h4-7,12,14-16,28H,3,8-11,13H2,1-2H3
InChIKeyNIDYDJWEKHKSJB-UHFFFAOYSA-N
MW543.49 g/mol
LogP4.03
Rot. Bonds6

About N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide

N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 90939764) has the molecular formula C24H27BrN6O2S and a molecular weight of 543.49 g/mol. Its IUPAC name is N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID90939764
Molecular FormulaC24H27BrN6O2S
Molecular Weight543.49 g/mol
Exact Mass542.11
IUPAC NameN-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCCc1c(Br)c(N2CCC(CNS(C)(=O)=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H27BrN6O2S/c1-3-21-22(25)24(30-10-8-16(9-11-30)13-28-34(2,32)33)29-23-19(15-27-31(21)23)18-12-17-6-4-5-7-20(17)26-14-18/h4-7,12,14-16,28H,3,8-11,13H2,1-2H3
InChIKeyNIDYDJWEKHKSJB-UHFFFAOYSA-N
XLogP4.03
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
6-Bromo-5-(piperidin-3-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224747
1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905200
4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223354
3-(1H-indazol-4-yl)-7-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 45486211
4-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 117603102

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 90939764) is N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide is CCc1c(Br)c(N2CCC(CNS(C)(=O)=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is NIDYDJWEKHKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6O2S/c1-3-21-22(25)24(30-10-8-16(9-11-30)13-28-34(2,32)33)29-23-19(15-27-31(21)23)18-12-17-6-4-5-7-20(17)26-14-18/h4-7,12,14-16,28H,3,8-11,13H2,1-2H3.
What are the key properties of N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 543.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 90939764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).