1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C109H109Br5N30O8S3 — CID 158913912

IUPAC1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C23H25BrN6O2S.C22H23BrN6O2S.C22H21BrN6O.C21H21BrN6O2S.C21H19BrN6O/c1-14(2)33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(13-27-30)17-11-16-5-3-4-6-19(16)26-12-17;1-13(2)32(30,31)28-8-7-15(12-28)20-19(23)21(24)29-22(27-20)17(11-26-29)16-9-14-5-3-4-6-18(14)25-10-16;1-13(30)28-8-6-14(7-9-28)20-19(23)21(24)29-22(27-20)17(12-26-29)16-10-15-4-2-3-5-18(15)25-11-16;1-31(29,30)27-8-6-13(7-9-27)19-18(22)20(23)28-21(26-19)16(12-25-28)15-10-14-4-2-3-5-17(14)24-11-15;1-12(29)27-7-6-14(11-27)19-18(22)20(23)28-21(26-19)16(10-25-28)15-8-13-4-2-3-5-17(13)24-9-15/h3-6,11-15H,7-10,25H2,1-2H3;3-6,9-11,13,15H,7-8,12,24H2,1-2H3;2-5,10-12,14H,6-9,24H2,1H3;2-5,10-13H,6-9,23H2,1H3;2-5,8-10,14H,6-7,11,23H2,1H3
InChIKeyJGZMDUHNVOAWIA-UHFFFAOYSA-N
MW2462.99 g/mol
LogP19.09
Rot. Bonds15

About 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158913912) has the molecular formula C109H109Br5N30O8S3 and a molecular weight of 2462.99 g/mol. Its IUPAC name is 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158913912
Molecular FormulaC109H109Br5N30O8S3
Molecular Weight2462.99 g/mol
Exact Mass2456.41
IUPAC Name1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C23H25BrN6O2S.C22H23BrN6O2S.C22H21BrN6O.C21H21BrN6O2S.C21H19BrN6O/c1-14(2)33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(13-27-30)17-11-16-5-3-4-6-19(16)26-12-17;1-13(2)32(30,31)28-8-7-15(12-28)20-19(23)21(24)29-22(27-20)17(11-26-29)16-9-14-5-3-4-6-18(14)25-10-16;1-13(30)28-8-6-14(7-9-28)20-19(23)21(24)29-22(27-20)17(12-26-29)16-10-15-4-2-3-5-18(15)25-11-16;1-31(29,30)27-8-6-13(7-9-27)19-18(22)20(23)28-21(26-19)16(12-25-28)15-10-14-4-2-3-5-17(14)24-11-15;1-12(29)27-7-6-14(11-27)19-18(22)20(23)28-21(26-19)16(10-25-28)15-8-13-4-2-3-5-17(13)24-9-15/h3-6,11-15H,7-10,25H2,1-2H3;3-6,9-11,13,15H,7-8,12,24H2,1-2H3;2-5,10-12,14H,6-9,24H2,1H3;2-5,10-13H,6-9,23H2,1H3;2-5,8-10,14H,6-7,11,23H2,1H3
InChIKeyJGZMDUHNVOAWIA-UHFFFAOYSA-N
XLogP19.09
TPSA498.26 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002462.99
LogP ≤ 519.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;7-amino-5-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;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 157841351
2-[4-[7-Amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158223552
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
4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 162020451
1-[4-[3-Bromo-7-[[6-[[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]sulfonylmethyl]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
CID 142871366
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
7-[7-Amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157106836
1-[7-Amino-5-(1,1-dioxothian-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxothian-4-yl)-3-(1-pyridin-3-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1,1-dioxothian-4-yl)-3-(3-phenylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenylpyridazin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157134647
(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
5-[(3aR,7aS)-3-methyl-2-oxo-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-5-yl]-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157163671

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158913912) is 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.
What is the InChIKey of 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JGZMDUHNVOAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN6O2S.C22H23BrN6O2S.C22H21BrN6O.C21H21BrN6O2S.C21H19BrN6O/c1-14(2)33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(13-27-30)17-11-16-5-3-4-6-19(16)26-12-17;1-13(2)32(30,31)28-8-7-15(12-28)20-19(23)21(24)29-22(27-20)17(11-26-29)16-9-14-5-3-4-6-18(14)25-10-16;1-13(30)28-8-6-14(7-9-28)20-19(23)21(24)29-22(27-20)17(12-26-29)16-10-15-4-2-3-5-18(15)25-11-16;1-31(29,30)27-8-6-13(7-9-27)19-18(22)20(23)28-21(26-19)16(12-25-28)15-10-14-4-2-3-5-17(14)24-11-15;1-12(29)27-7-6-14(11-27)19-18(22)20(23)28-21(26-19)16(10-25-28)15-8-13-4-2-3-5-17(13)24-9-15/h3-6,11-15H,7-10,25H2,1-2H3;3-6,9-11,13,15H,7-8,12,24H2,1-2H3;2-5,10-12,14H,6-9,24H2,1H3;2-5,10-13H,6-9,23H2,1H3;2-5,8-10,14H,6-7,11,23H2,1H3.
What are the key properties of 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2462.99 g/mol, XLogP of 19.09, 15 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone;1-[3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone;6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158913912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).