benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C100H87Br4N21O14S5 — CID 159245069

IUPACbenzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccoc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C26H26BrN5O4S.C21H20N4O2S.C19H15BrN4O2S.2C17H13BrN4O3S/c1-37(34,35)21-9-7-20(8-10-21)29-24-15-23(30-25-22(27)16-28-32(24)25)19-11-13-31(14-12-19)26(33)36-17-18-5-3-2-4-6-18;1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-27(25,26)15-9-7-14(8-10-15)22-18-11-17(13-5-3-2-4-6-13)23-19-16(20)12-21-24(18)19;1-26(23,24)13-4-2-12(3-5-13)20-16-8-15(11-6-7-25-10-11)21-17-14(18)9-19-22(16)17;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17/h2-10,15-16,19,29H,11-14,17H2,1H3;4-14,23H,3H2,1-2H3;2-12,22H,1H3;2*2-10,20H,1H3
InChIKeyKUOQHIBTFLOPDJ-UHFFFAOYSA-N
MW2286.88 g/mol
LogP21.36
Rot. Bonds23

About benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159245069) has the molecular formula C100H87Br4N21O14S5 and a molecular weight of 2286.88 g/mol. Its IUPAC name is benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Namebenzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159245069
Molecular FormulaC100H87Br4N21O14S5
Molecular Weight2286.88 g/mol
Exact Mass2281.21
IUPAC Namebenzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccoc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C26H26BrN5O4S.C21H20N4O2S.C19H15BrN4O2S.2C17H13BrN4O3S/c1-37(34,35)21-9-7-20(8-10-21)29-24-15-23(30-25-22(27)16-28-32(24)25)19-11-13-31(14-12-19)26(33)36-17-18-5-3-2-4-6-18;1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-27(25,26)15-9-7-14(8-10-15)22-18-11-17(13-5-3-2-4-6-13)23-19-16(20)12-21-24(18)19;1-26(23,24)13-4-2-12(3-5-13)20-16-8-15(11-6-7-25-10-11)21-17-14(18)9-19-22(16)17;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17/h2-10,15-16,19,29H,11-14,17H2,1H3;4-14,23H,3H2,1-2H3;2-12,22H,1H3;2*2-10,20H,1H3
InChIKeyKUOQHIBTFLOPDJ-UHFFFAOYSA-N
XLogP21.36
TPSA437.62 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.88
LogP ≤ 521.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-[5-(cyclopentylamino)-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 161761400
1-[7-Amino-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(furan-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-quinolin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157057792
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
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
benzyl 3-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;pyridin-3-yl N-[3-bromo-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
CID 157894582
1-[4-(Diethylamino)phenyl]-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea;1-[4-(dimethylamino)phenyl]-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea;4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]benzenesulfonic acid;1-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 158104720
1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 158571626
3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159779761
2-[[4-[[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-diethylethanamine;N,N-diethyl-2-[[4-[[5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-N-methyl-2-pyrrolidin-1-ylpropanamide;1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]-4-pyrrolidin-1-ylbutan-1-one
CID 159889613
3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;3-bromo-5-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159925254
3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160385067
benzyl 4-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)sulfamoyl]pyrazolo[1,5-a]pyrimidin-7-amine;(1-hydroxypyridin-1-ium-4-yl)methyl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 160966116

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159245069) is benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccoc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc3c(Br)cnn23)cc1.
What is the InChIKey of benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KUOQHIBTFLOPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN5O4S.C21H20N4O2S.C19H15BrN4O2S.2C17H13BrN4O3S/c1-37(34,35)21-9-7-20(8-10-21)29-24-15-23(30-25-22(27)16-28-32(24)25)19-11-13-31(14-12-19)26(33)36-17-18-5-3-2-4-6-18;1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-27(25,26)15-9-7-14(8-10-15)22-18-11-17(13-5-3-2-4-6-13)23-19-16(20)12-21-24(18)19;1-26(23,24)13-4-2-12(3-5-13)20-16-8-15(11-6-7-25-10-11)21-17-14(18)9-19-22(16)17;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17/h2-10,15-16,19,29H,11-14,17H2,1H3;4-14,23H,3H2,1-2H3;2-12,22H,1H3;2*2-10,20H,1H3.
What are the key properties of benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2286.88 g/mol, XLogP of 21.36, 23 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159245069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).