N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C109H91Br2N31O7S — CID 158615575

IUPACN-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COC(=O)[C@H]1CC[C@@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cn1.CS(=O)(=O)Nc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.Nc1cc(-c2ccc3[nH]ncc3c2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C22H21BrN6O2.C22H15N7.C22H18N6O2S.C21H16N6O/c2*1-31-22(30)17-7-6-13(9-26-17)19-18(23)20(24)29-21(28-19)15(11-27-29)14-8-12-4-2-3-5-16(12)25-10-14;23-21-9-20(14-5-6-19-16(8-14)11-25-28-19)27-22-17(12-26-29(21)22)15-7-13-3-1-2-4-18(13)24-10-15;1-31(29,30)27-17-8-6-14(7-9-17)20-11-21(23)28-22(26-20)18(13-25-28)16-10-15-4-2-3-5-19(15)24-12-16;1-28-20-7-6-14(10-24-20)18-9-19(22)27-21(26-18)16(12-25-27)15-8-13-4-2-3-5-17(13)23-11-15/h2*2-5,8,10-11,13,17,26H,6-7,9,24H2,1H3;1-12H,23H2,(H,25,28);2-13,27H,23H2,1H3;2-12H,22H2,1H3/t2*13-,17-;;;/m10.../s1
InChIKeyHXIQTVLCRKEXKC-ZXQHRQGFSA-N
MW2139.01 g/mol
LogP17.83
Rot. Bonds15

About N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 158615575) has the molecular formula C109H91Br2N31O7S and a molecular weight of 2139.01 g/mol. Its IUPAC name is N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound NameN-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
PubChem CID158615575
Molecular FormulaC109H91Br2N31O7S
Molecular Weight2139.01 g/mol
Exact Mass2135.58
IUPAC NameN-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COC(=O)[C@H]1CC[C@@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cn1.CS(=O)(=O)Nc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.Nc1cc(-c2ccc3[nH]ncc3c2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C22H21BrN6O2.C22H15N7.C22H18N6O2S.C21H16N6O/c2*1-31-22(30)17-7-6-13(9-26-17)19-18(23)20(24)29-21(28-19)15(11-27-29)14-8-12-4-2-3-5-16(12)25-10-14;23-21-9-20(14-5-6-19-16(8-14)11-25-28-19)27-22-17(12-26-29(21)22)15-7-13-3-1-2-4-18(13)24-10-15;1-31(29,30)27-17-8-6-14(7-9-17)20-11-21(23)28-22(26-20)18(13-25-28)16-10-15-4-2-3-5-19(15)24-12-16;1-28-20-7-6-14(10-24-20)18-9-19(22)27-21(26-18)16(12-25-27)15-8-13-4-2-3-5-17(13)23-11-15/h2*2-5,8,10-11,13,17,26H,6-7,9,24H2,1H3;1-12H,23H2,(H,25,28);2-13,27H,23H2,1H3;2-12H,22H2,1H3/t2*13-,17-;;;/m10.../s1
InChIKeyHXIQTVLCRKEXKC-ZXQHRQGFSA-N
XLogP17.83
TPSA519.13 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002139.01
LogP ≤ 517.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-indol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157345023
5-[7-Amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 157575590
5-[7-Amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 158405443
5-[7-amino-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158413334
2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(7-methylisoquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158764283
2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159362713
1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159831251
3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-fluorophenol;N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 160353461
5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 161270767
6-(5-methoxy-3-pyridinyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]-9H-pyrido[2,3-b]indol-4-amine;6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrido[2,3-b]indol-4-amine;6-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrido[2,3-b]indol-4-amine;6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-(1H-1,2,4-triazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 163459145
7-[1-(2-aminophenyl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(azetidin-3-yloxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[1-(1H-indazol-5-yl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-[1-(1H-indazol-7-yl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[2-[4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxyethyl]-N-methylpiperidine-4-sulfonamide
CID 173578206

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The IUPAC name of N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 158615575) is N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The canonical SMILES for N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is COC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COC(=O)[C@H]1CC[C@@H](c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cn1.CS(=O)(=O)Nc1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1.Nc1cc(-c2ccc3[nH]ncc3c2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
The InChIKey is HXIQTVLCRKEXKC-ZXQHRQGFSA-N. The full InChI is InChI=1S/2C22H21BrN6O2.C22H15N7.C22H18N6O2S.C21H16N6O/c2*1-31-22(30)17-7-6-13(9-26-17)19-18(23)20(24)29-21(28-19)15(11-27-29)14-8-12-4-2-3-5-16(12)25-10-14;23-21-9-20(14-5-6-19-16(8-14)11-25-28-19)27-22-17(12-26-29(21)22)15-7-13-3-1-2-4-18(13)24-10-15;1-31(29,30)27-17-8-6-14(7-9-17)20-11-21(23)28-22(26-20)18(13-25-28)16-10-15-4-2-3-5-19(15)24-12-16;1-28-20-7-6-14(10-24-20)18-9-19(22)27-21(26-18)16(12-25-27)15-8-13-4-2-3-5-17(13)23-11-15/h2*2-5,8,10-11,13,17,26H,6-7,9,24H2,1H3;1-12H,23H2,(H,25,28);2-13,27H,23H2,1H3;2-12H,22H2,1H3/t2*13-,17-;;;/m10.../s1.
What are the key properties of N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?
N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 2139.01 g/mol, XLogP of 17.83, 15 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methanesulfonamide;5-(1H-indazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methoxy-3-pyridinyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl (2R,5R)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl (2S,5S)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 158615575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).