7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane

C153H178ClN37O12 — CID 162007090

IUPAC7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane
SMILESC.C.C.C.CC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Nc3cc(C)nc(N4CCC[C@H](O)C4)c3)nc12.Cc1cc(N)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(=O)O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C34H37N7O3.C32H34N8O2.C32H33N7O3.C22H19ClN4O.C18H22N8O2.C11H17N3O.4CH4/c1-3-44-34(43)29-20-35-41-32(40(21-25-11-6-4-7-12-25)22-26-13-8-5-9-14-26)19-30(38-33(29)41)37-27-17-24(2)36-31(18-27)39-16-10-15-28(42)23-39;1-22-15-25(16-29(35-22)38-14-8-13-26(41)21-38)36-28-17-30(40-32(37-28)27(18-34-40)31(33)42)39(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-22-15-25(16-29(34-22)37-14-8-13-26(40)21-37)35-28-17-30(39-31(36-28)27(18-33-39)32(41)42)38(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-16(28)19-13-24-27-21(12-20(23)25-22(19)27)26(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-10-5-11(6-16(22-10)25-4-2-3-12(27)9-25)23-15-7-14(19)26-18(24-15)13(8-21-26)17(20)28;1-8-5-9(12)6-11(13-8)14-4-2-3-10(15)7-14;;;;/h4-9,11-14,17-20,28,42H,3,10,15-16,21-23H2,1-2H3,(H,36,37,38);2-7,9-12,15-18,26,41H,8,13-14,19-21H2,1H3,(H2,33,42)(H,35,36,37);2-7,9-12,15-18,26,40H,8,13-14,19-21H2,1H3,(H,41,42)(H,34,35,36);2-13H,14-15H2,1H3;5-8,12,27H,2-4,9,19H2,1H3,(H2,20,28)(H,22,23,24);5-6,10,15H,2-4,7H2,1H3,(H2,12,13);4*1H4/t28-;2*26-;;12-;10-;;;;/m000.00..../s1
InChIKeyYSYYZUOJDGAOCP-ADXQWTAKSA-N
MW2762.81 g/mol
LogP24.09
Rot. Bonds39

About 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane

7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane (PubChem CID 162007090) has the molecular formula C153H178ClN37O12 and a molecular weight of 2762.81 g/mol. Its IUPAC name is 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane.

Molecular Properties

Compound Name7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane
PubChem CID162007090
Molecular FormulaC153H178ClN37O12
Molecular Weight2762.81 g/mol
Exact Mass2760.41
IUPAC Name7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane
SMILESC.C.C.C.CC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Nc3cc(C)nc(N4CCC[C@H](O)C4)c3)nc12.Cc1cc(N)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(=O)O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C34H37N7O3.C32H34N8O2.C32H33N7O3.C22H19ClN4O.C18H22N8O2.C11H17N3O.4CH4/c1-3-44-34(43)29-20-35-41-32(40(21-25-11-6-4-7-12-25)22-26-13-8-5-9-14-26)19-30(38-33(29)41)37-27-17-24(2)36-31(18-27)39-16-10-15-28(42)23-39;1-22-15-25(16-29(35-22)38-14-8-13-26(41)21-38)36-28-17-30(40-32(37-28)27(18-34-40)31(33)42)39(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-22-15-25(16-29(34-22)37-14-8-13-26(40)21-37)35-28-17-30(39-31(36-28)27(18-33-39)32(41)42)38(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-16(28)19-13-24-27-21(12-20(23)25-22(19)27)26(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-10-5-11(6-16(22-10)25-4-2-3-12(27)9-25)23-15-7-14(19)26-18(24-15)13(8-21-26)17(20)28;1-8-5-9(12)6-11(13-8)14-4-2-3-10(15)7-14;;;;/h4-9,11-14,17-20,28,42H,3,10,15-16,21-23H2,1-2H3,(H,36,37,38);2-7,9-12,15-18,26,41H,8,13-14,19-21H2,1H3,(H2,33,42)(H,35,36,37);2-7,9-12,15-18,26,40H,8,13-14,19-21H2,1H3,(H,41,42)(H,34,35,36);2-13H,14-15H2,1H3;5-8,12,27H,2-4,9,19H2,1H3,(H2,20,28)(H,22,23,24);5-6,10,15H,2-4,7H2,1H3,(H2,12,13);4*1H4/t28-;2*26-;;12-;10-;;;;/m000.00..../s1
InChIKeyYSYYZUOJDGAOCP-ADXQWTAKSA-N
XLogP24.09
TPSA612.72 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002762.81
LogP ≤ 524.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Analyze 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane with MolForge

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Launch Full Analysis

Related Compounds

7-amino-5-[[2-methyl-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449665
5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane
CID 161433576
ethyl 2-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112926149
7-amino-5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523921
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine
CID 162074326
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
tert-butyl N-[3-carbamoyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450058
ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074
cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145182096
ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137450424
N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane?
The IUPAC name of 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane (CID 162007090) is 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane.
What is the SMILES notation for 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane?
The canonical SMILES for 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane is C.C.C.C.CC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Nc3cc(C)nc(N4CCC[C@H](O)C4)c3)nc12.Cc1cc(N)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(=O)O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N(Cc3ccccc3)Cc3ccccc3)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1.Cc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)cc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane?
The InChIKey is YSYYZUOJDGAOCP-ADXQWTAKSA-N. The full InChI is InChI=1S/C34H37N7O3.C32H34N8O2.C32H33N7O3.C22H19ClN4O.C18H22N8O2.C11H17N3O.4CH4/c1-3-44-34(43)29-20-35-41-32(40(21-25-11-6-4-7-12-25)22-26-13-8-5-9-14-26)19-30(38-33(29)41)37-27-17-24(2)36-31(18-27)39-16-10-15-28(42)23-39;1-22-15-25(16-29(35-22)38-14-8-13-26(41)21-38)36-28-17-30(40-32(37-28)27(18-34-40)31(33)42)39(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-22-15-25(16-29(34-22)37-14-8-13-26(40)21-37)35-28-17-30(39-31(36-28)27(18-33-39)32(41)42)38(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24;1-16(28)19-13-24-27-21(12-20(23)25-22(19)27)26(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-10-5-11(6-16(22-10)25-4-2-3-12(27)9-25)23-15-7-14(19)26-18(24-15)13(8-21-26)17(20)28;1-8-5-9(12)6-11(13-8)14-4-2-3-10(15)7-14;;;;/h4-9,11-14,17-20,28,42H,3,10,15-16,21-23H2,1-2H3,(H,36,37,38);2-7,9-12,15-18,26,41H,8,13-14,19-21H2,1H3,(H2,33,42)(H,35,36,37);2-7,9-12,15-18,26,40H,8,13-14,19-21H2,1H3,(H,41,42)(H,34,35,36);2-13H,14-15H2,1H3;5-8,12,27H,2-4,9,19H2,1H3,(H2,20,28)(H,22,23,24);5-6,10,15H,2-4,7H2,1H3,(H2,12,13);4*1H4/t28-;2*26-;;12-;10-;;;;/m000.00..../s1.
What are the key properties of 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane?
7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane has a molecular weight of 2762.81 g/mol, XLogP of 24.09, 39 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane is sourced from PubChem (CID 162007090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).