6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C109H106Br4N40O4S2 — CID 158790727

IUPAC6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)N1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.CS(=O)(=O)N1CCCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C23H22BrN9.C22H21BrN10.C21H21BrN6O2S.C20H20N6O2S/c2*24-20-21(14-7-5-13(6-8-14)9-19-29-31-32-30-19)28-23-17(12-27-33(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;23-19-20(24)33-21(16(12-26-33)15-10-14-3-1-2-4-17(14)25-11-15)27-22(19)32-7-5-13(6-8-32)9-18-28-30-31-29-18;1-31(29,30)27-8-4-6-14(12-27)19-18(22)20(23)28-21(26-19)16(11-25-28)15-9-13-5-2-3-7-17(13)24-10-15;1-29(27,28)25-7-6-14(12-25)18-9-19(21)26-20(24-18)16(11-23-26)15-8-13-4-2-3-5-17(13)22-10-15/h2*1-4,10-14H,5-9,25H2,(H,29,30,31,32);1-4,10-13H,5-9,24H2,(H,28,29,30,31);2-3,5,7,9-11,14H,4,6,8,12,23H2,1H3;2-5,8-11,14H,6-7,12,21H2,1H3
InChIKeyISFWXJDRGSVYIO-UHFFFAOYSA-N
MW2424.07 g/mol
LogP17.60
Rot. Bonds18

About 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158790727) has the molecular formula C109H106Br4N40O4S2 and a molecular weight of 2424.07 g/mol. Its IUPAC name is 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158790727
Molecular FormulaC109H106Br4N40O4S2
Molecular Weight2424.07 g/mol
Exact Mass2418.55
IUPAC Name6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)N1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.CS(=O)(=O)N1CCCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C23H22BrN9.C22H21BrN10.C21H21BrN6O2S.C20H20N6O2S/c2*24-20-21(14-7-5-13(6-8-14)9-19-29-31-32-30-19)28-23-17(12-27-33(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;23-19-20(24)33-21(16(12-26-33)15-10-14-3-1-2-4-17(14)25-11-15)27-22(19)32-7-5-13(6-8-32)9-18-28-30-31-29-18;1-31(29,30)27-8-4-6-14(12-27)19-18(22)20(23)28-21(26-19)16(11-25-28)15-9-13-5-2-3-7-17(13)24-10-15;1-29(27,28)25-7-6-14(12-25)18-9-19(21)26-20(24-18)16(11-23-26)15-8-13-4-2-3-5-17(13)22-10-15/h2*1-4,10-14H,5-9,25H2,(H,29,30,31,32);1-4,10-13H,5-9,24H2,(H,28,29,30,31);2-3,5,7,9-11,14H,4,6,8,12,23H2,1H3;2-5,8-11,14H,6-7,12,21H2,1H3
InChIKeyISFWXJDRGSVYIO-UHFFFAOYSA-N
XLogP17.60
TPSA586.88 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.07
LogP ≤ 517.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159054750
2-[3-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]-2-oxoacetic acid;6-bromo-5-(1-ethylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 161324411
6-Bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
6-Bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173345
6-Bromo-5-(1-(methylsulfonyl)piperidin-3-yl)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173402
N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 58173404
6-Bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214245
N-[[1-(6-bromo-7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 90939764
N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123955280
6-Bromo-5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[4-(methyl-methylidene-oxo-lambda6-sulfanyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 144073746
6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157081115
(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157152531

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158790727) is 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)N1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.CS(=O)(=O)N1CCCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ISFWXJDRGSVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22BrN9.C22H21BrN10.C21H21BrN6O2S.C20H20N6O2S/c2*24-20-21(14-7-5-13(6-8-14)9-19-29-31-32-30-19)28-23-17(12-27-33(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;23-19-20(24)33-21(16(12-26-33)15-10-14-3-1-2-4-17(14)25-11-15)27-22(19)32-7-5-13(6-8-32)9-18-28-30-31-29-18;1-31(29,30)27-8-4-6-14(12-27)19-18(22)20(23)28-21(26-19)16(11-25-28)15-9-13-5-2-3-7-17(13)24-10-15;1-29(27,28)25-7-6-14(12-25)18-9-19(21)26-20(24-18)16(11-23-26)15-8-13-4-2-3-5-17(13)22-10-15/h2*1-4,10-14H,5-9,25H2,(H,29,30,31,32);1-4,10-13H,5-9,24H2,(H,28,29,30,31);2-3,5,7,9-11,14H,4,6,8,12,23H2,1H3;2-5,8-11,14H,6-7,12,21H2,1H3.
What are the key properties of 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2424.07 g/mol, XLogP of 17.60, 18 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).