2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C104H118Br5N43O3 — CID 161162578

IUPAC2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(CCO)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12
InChIInChI=1S/C20H21BrN8.C18H23BrN8O.C17H22BrN7O.C17H16BrN7.C16H20BrN7.C16H16N6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-25(2)14(28)10-26-9-12(7-22-26)13-8-23-27-17(20)15(19)16(24-18(13)27)11-4-3-5-21-6-11;1-23-9-12(7-20-23)13-8-21-25-16(19)14(18)15(22-17(13)25)11-3-2-4-24(10-11)5-6-26;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-9,11,21H,3-6,10,20H2,1-2H3;7-9,11,26H,2-6,10,19H2,1H3;4,6,8-9,11,21H,1-3,7,20H2;7-10,19H,2-6,18H2,1H3;4-5,8-10,19H,1-3,7,18H2
InChIKeyUQCOXMWHIYUMCA-UHFFFAOYSA-N
MW2417.91 g/mol
LogP12.80
Rot. Bonds19

About 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161162578) has the molecular formula C104H118Br5N43O3 and a molecular weight of 2417.91 g/mol. Its IUPAC name is 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID161162578
Molecular FormulaC104H118Br5N43O3
Molecular Weight2417.91 g/mol
Exact Mass2411.63
IUPAC Name2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(CCO)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12
InChIInChI=1S/C20H21BrN8.C18H23BrN8O.C17H22BrN7O.C17H16BrN7.C16H20BrN7.C16H16N6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-25(2)14(28)10-26-9-12(7-22-26)13-8-23-27-17(20)15(19)16(24-18(13)27)11-4-3-5-21-6-11;1-23-9-12(7-20-23)13-8-21-25-16(19)14(18)15(22-17(13)25)11-3-2-4-24(10-11)5-6-26;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-9,11,21H,3-6,10,20H2,1-2H3;7-9,11,26H,2-6,10,19H2,1H3;4,6,8-9,11,21H,1-3,7,20H2;7-10,19H,2-6,18H2,1H3;4-5,8-10,19H,1-3,7,18H2
InChIKeyUQCOXMWHIYUMCA-UHFFFAOYSA-N
XLogP12.80
TPSA598.97 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.91
LogP ≤ 512.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[5-cyclohexyl-3-(5-isocyanofuran-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 123569596
3-bromo-5-(furan-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142870347
4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine
CID 143656229
3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 157119714
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157207448
10-[2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;6,7,8,9-tetrahydropyrido[4,3-b][1,6]naphthyridine
CID 157210730
8-amino-2-(5-bromofuran-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-6-ium-6-carboxamide;8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide;[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)methanone;[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)methanone;[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone;[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 157213121
4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157223438
3-bromo-5-(furan-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(4-isocyanophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157226998
CID 157323404
CID 157323404
4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3S)-piperidin-3-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157439486
5-N-(6-aminohexyl)-7-N-(3H-indol-2-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-7-N-[(4-isocyanophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-7-N-[(5-methylfuran-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-3-propan-2-yl-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-(5-isocyanopentyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;N-benzyl-5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157756676

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 161162578) is 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(CCO)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12.
What is the InChIKey of 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UQCOXMWHIYUMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8.C18H23BrN8O.C17H22BrN7O.C17H16BrN7.C16H20BrN7.C16H16N6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-25(2)14(28)10-26-9-12(7-22-26)13-8-23-27-17(20)15(19)16(24-18(13)27)11-4-3-5-21-6-11;1-23-9-12(7-20-23)13-8-21-25-16(19)14(18)15(22-17(13)25)11-3-2-4-24(10-11)5-6-26;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-9,11,21H,3-6,10,20H2,1-2H3;7-9,11,26H,2-6,10,19H2,1H3;4,6,8-9,11,21H,1-3,7,20H2;7-10,19H,2-6,18H2,1H3;4-5,8-10,19H,1-3,7,18H2.
What are the key properties of 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2417.91 g/mol, XLogP of 12.80, 19 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).