6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C116H125N29O11S5 — CID 159149564

IUPAC6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.COCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.NCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H26N6O2S.C24H25N5O3S.C23H26N6O2S.C23H24N6O2S.C22H24N6O2S/c1-26-14-20-22(17-9-11-33(31,32)12-10-17)29-24-19(15-28-30(24)23(20)25)18-7-8-21(27-13-18)16-5-3-2-4-6-16;1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16;1-14-3-4-20-16(9-14)10-17(11-26-20)18-13-27-29-22(24)19(12-25-2)21(28-23(18)29)15-5-7-32(30,31)8-6-15;24-12-18-21(16-8-10-32(30,31)11-9-16)28-23-19(14-27-29(23)22(18)25)17-6-7-20(26-13-17)15-4-2-1-3-5-15;1-24-12-18-20(14-6-8-31(29,30)9-7-14)27-22-17(13-26-28(22)21(18)23)16-10-15-4-2-3-5-19(15)25-11-16/h2-8,13,15,17,26H,9-12,14,25H2,1H3;2-8,13-14,17H,9-12,15,25H2,1H3;3-4,9-11,13,15,25H,5-8,12,24H2,1-2H3;1-7,13-14,16H,8-12,24-25H2;2-5,10-11,13-14,24H,6-9,12,23H2,1H3
InChIKeyKJCJHSSVLVCFRF-UHFFFAOYSA-N
MW2261.80 g/mol
LogP14.71
Rot. Bonds22

About 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159149564) has the molecular formula C116H125N29O11S5 and a molecular weight of 2261.80 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159149564
Molecular FormulaC116H125N29O11S5
Molecular Weight2261.80 g/mol
Exact Mass2259.87
IUPAC Name6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.COCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.NCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H26N6O2S.C24H25N5O3S.C23H26N6O2S.C23H24N6O2S.C22H24N6O2S/c1-26-14-20-22(17-9-11-33(31,32)12-10-17)29-24-19(15-28-30(24)23(20)25)18-7-8-21(27-13-18)16-5-3-2-4-6-16;1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16;1-14-3-4-20-16(9-14)10-17(11-26-20)18-13-27-29-22(24)19(12-25-2)21(28-23(18)29)15-5-7-32(30,31)8-6-15;24-12-18-21(16-8-10-32(30,31)11-9-16)28-23-19(14-27-29(23)22(18)25)17-6-7-20(26-13-17)15-4-2-1-3-5-15;1-24-12-18-20(14-6-8-31(29,30)9-7-14)27-22-17(13-26-28(22)21(18)23)16-10-15-4-2-3-5-19(15)25-11-16/h2-8,13,15,17,26H,9-12,14,25H2,1H3;2-8,13-14,17H,9-12,15,25H2,1H3;3-4,9-11,13,15,25H,5-8,12,24H2,1-2H3;1-7,13-14,16H,8-12,24-25H2;2-5,10-11,13-14,24H,6-9,12,23H2,1H3
InChIKeyKJCJHSSVLVCFRF-UHFFFAOYSA-N
XLogP14.71
TPSA587.54 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.80
LogP ≤ 514.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(1,1-Dioxothian-4-yl)-6-(methoxymethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68072222
4-(5-Quinolin-3-yl-11-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl)thiane 1,1-dioxide
CID 136059051
4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide;N-[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]methanol;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157194288
1-[7-Amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(5-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[6-(2-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157601042
3-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 157685449
7-Amino-5-(1,1-dioxothian-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-(1,1-dioxothian-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 157952296
3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-b]pyridazin-8-amine;N-[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-8-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158145525
[7-Amino-5-(1,1-dioxothian-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol;1-[7-amino-5-(1,1-dioxothian-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol;[7-amino-5-(1,1-dioxothian-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol;1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol;1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 158219463
6-(Aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158249750
3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
CID 158421821
5-[(3aR,7aS)-1,3-dimethyl-2-oxo-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-5-yl]-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(5-oxo-1,4-diazepan-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 158480453
4-(5-Ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide
CID 158665555

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159149564) is 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CNCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.COCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.NCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KJCJHSSVLVCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S.C24H25N5O3S.C23H26N6O2S.C23H24N6O2S.C22H24N6O2S/c1-26-14-20-22(17-9-11-33(31,32)12-10-17)29-24-19(15-28-30(24)23(20)25)18-7-8-21(27-13-18)16-5-3-2-4-6-16;1-32-15-20-22(17-9-11-33(30,31)12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16;1-14-3-4-20-16(9-14)10-17(11-26-20)18-13-27-29-22(24)19(12-25-2)21(28-23(18)29)15-5-7-32(30,31)8-6-15;24-12-18-21(16-8-10-32(30,31)11-9-16)28-23-19(14-27-29(23)22(18)25)17-6-7-20(26-13-17)15-4-2-1-3-5-15;1-24-12-18-20(14-6-8-31(29,30)9-7-14)27-22-17(13-26-28(22)21(18)23)16-10-15-4-2-3-5-19(15)25-11-16/h2-8,13,15,17,26H,9-12,14,25H2,1H3;2-8,13-14,17H,9-12,15,25H2,1H3;3-4,9-11,13,15,25H,5-8,12,24H2,1-2H3;1-7,13-14,16H,8-12,24-25H2;2-5,10-11,13-14,24H,6-9,12,23H2,1H3.
What are the key properties of 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2261.80 g/mol, XLogP of 14.71, 22 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159149564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).