4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C96H109Br5N40S2 — CID 159697885

IUPAC4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(N4CC[C@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C21H29N7.C18H17BrN6.C15H16BrN7.C14H17BrN8.2C14H15BrN6S/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15;19-15-16(13-2-1-7-22-9-13)24-18-14(10-23-25(18)17(15)21)12-5-3-11(8-20)4-6-12;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11;1-21-6-8(4-18-21)10-5-19-23-12(17)11(15)14(20-13(10)23)22-3-2-9(16)7-22;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-22-7-18-10)5-19-21(14)13(11)16;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-18-7-22-10)5-19-21(14)13(11)16/h10,12-15,17,22,25H,2-9,11H2,1H3;3-6,10,13,22H,1-2,7,9,21H2;4-5,7-9,18H,1-3,6,17H2;4-6,9H,2-3,7,16-17H2,1H3;2*5-8,17H,1-4,16H2/t;;;9-;;/m...0../s1
InChIKeyMXGBDPYVKYVIIK-SNYAZKSUSA-N
MW2286.86 g/mol
LogP14.76
Rot. Bonds14

About 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159697885) has the molecular formula C96H109Br5N40S2 and a molecular weight of 2286.86 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159697885
Molecular FormulaC96H109Br5N40S2
Molecular Weight2286.86 g/mol
Exact Mass2280.51
IUPAC Name4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(N4CC[C@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C21H29N7.C18H17BrN6.C15H16BrN7.C14H17BrN8.2C14H15BrN6S/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15;19-15-16(13-2-1-7-22-9-13)24-18-14(10-23-25(18)17(15)21)12-5-3-11(8-20)4-6-12;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11;1-21-6-8(4-18-21)10-5-19-23-12(17)11(15)14(20-13(10)23)22-3-2-9(16)7-22;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-22-7-18-10)5-19-21(14)13(11)16;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-18-7-22-10)5-19-21(14)13(11)16/h10,12-15,17,22,25H,2-9,11H2,1H3;3-6,10,13,22H,1-2,7,9,21H2;4-5,7-9,18H,1-3,6,17H2;4-6,9H,2-3,7,16-17H2,1H3;2*5-8,17H,1-4,16H2/t;;;9-;;/m...0../s1
InChIKeyMXGBDPYVKYVIIK-SNYAZKSUSA-N
XLogP14.76
TPSA523.67 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002286.86
LogP ≤ 514.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
CID 88079044
N-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-4-methyl-1,3-thiazol-2-amine;N-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 88079441
4-(7-Amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656303
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;6-tert-butyl-3H-indazole;1-tert-butylpiperidine;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;1-propan-2-ylpyrrole
CID 157055529
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157142389
N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157236333
6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 157455036
2-bromo-6-(6-bromo-2-pyridinyl)pyridine;2-tert-butyl-6-(6-tert-butyl-2-pyridinyl)pyridine;4-tert-butyl-2-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazole;2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-3-(1-methylpyrazol-3-yl)pyrazole;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;5-(1H-pyrazol-5-yl)-1H-pyrazole;2-(3H-pyrrol-2-yl)-3H-pyrrole;2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 157456001
1,3-Dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 157563028
6-Bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(4-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157710566
bis(5-[(4-aminocyclohexyl)methyl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-diazepan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157781354
5-(4H-imidazol-2-yl)-4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole;(3S)-1-[[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyrrolidin-3-amine
CID 157934002

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159697885) is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(N4CC[C@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cscn3)cnn12.
What is the InChIKey of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MXGBDPYVKYVIIK-SNYAZKSUSA-N. The full InChI is InChI=1S/C21H29N7.C18H17BrN6.C15H16BrN7.C14H17BrN8.2C14H15BrN6S/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15;19-15-16(13-2-1-7-22-9-13)24-18-14(10-23-25(18)17(15)21)12-5-3-11(8-20)4-6-12;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11;1-21-6-8(4-18-21)10-5-19-23-12(17)11(15)14(20-13(10)23)22-3-2-9(16)7-22;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-22-7-18-10)5-19-21(14)13(11)16;15-11-12(8-2-1-3-17-4-8)20-14-9(10-6-18-7-22-10)5-19-21(14)13(11)16/h10,12-15,17,22,25H,2-9,11H2,1H3;3-6,10,13,22H,1-2,7,9,21H2;4-5,7-9,18H,1-3,6,17H2;4-6,9H,2-3,7,16-17H2,1H3;2*5-8,17H,1-4,16H2/t;;;9-;;/m...0../s1.
What are the key properties of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2286.86 g/mol, XLogP of 14.76, 14 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159697885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).