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

C46H47Br3N18S2 — CID 143656303

IUPAC4-(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
SMILESN#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C18H17BrN6.2C14H15BrN6S/c19-15-16(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;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/h3-6,10,13,22H,1-2,7,9,21H2;2*5-8,17H,1-4,16H2
InChIKeyWZHNROHPDILOMZ-UHFFFAOYSA-N
MW1155.85 g/mol
LogP8.41
Rot. Bonds6

About 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

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 (PubChem CID 143656303) has the molecular formula C46H47Br3N18S2 and a molecular weight of 1155.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID143656303
Molecular FormulaC46H47Br3N18S2
Molecular Weight1155.85 g/mol
Exact Mass1152.12
IUPAC Name4-(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
SMILESN#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C18H17BrN6.2C14H15BrN6S/c19-15-16(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;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/h3-6,10,13,22H,1-2,7,9,21H2;2*5-8,17H,1-4,16H2
InChIKeyWZHNROHPDILOMZ-UHFFFAOYSA-N
XLogP8.41
TPSA254.29 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001155.85
LogP ≤ 58.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 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 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]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
3-[2-[5-[7-Amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440260
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
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
3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-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-(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 158001222
N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine
CID 158018356
3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-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 158054546
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-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 158595242
4-bromo-3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 158718615
4-bromo-3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-N,3-N-dimethyl-1-N-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 159058782
6-bromo-3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 159386488
3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159677687

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cc1.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;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?
The InChIKey is WZHNROHPDILOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6.2C14H15BrN6S/c19-15-16(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;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/h3-6,10,13,22H,1-2,7,9,21H2;2*5-8,17H,1-4,16H2.
What are the key properties of 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?
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 has a molecular weight of 1155.85 g/mol, XLogP of 8.41, 6 rotatable bonds, 6 hydrogen bond donors, and 20 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;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 is sourced from PubChem (CID 143656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).