dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride

C134H151Cl3Cs2F7LiN46O22 — CID 162058400

IUPACdicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride
SMILESCCOC(=O)c1c(N)nn2ccc(Cl)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCCl)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCO)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)O)c2n1.Cl.Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1[C@H]1CCCN31.Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc(c1=O)[C@H]1CCCN31.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-]
InChIInChI=1S/C20H23ClFN7O2.C20H24FN7O3.2C19H20FN7O2.C19H21FN6O3.C17H17FN6O3.C10H13FN2O.C9H9ClN4O2.CH2O3.ClH.2Cs.Li.H2O.H/c1-31-20-13(10-12(22)11-25-20)14-4-2-8-28(14)15-5-9-29-18(26-15)16(17(23)27-29)19(30)24-7-3-6-21;1-31-20-13(10-12(21)11-24-20)14-4-2-7-27(14)15-5-8-28-18(25-15)16(17(22)26-28)19(30)23-6-3-9-29;20-11-9-12-13-3-1-7-26(13)14-4-8-27-17(23-14)15(16(21)24-27)18(28)22-5-2-6-25(10-11)19(12)29;20-11-9-12-13-3-1-6-26(13)14-4-7-27-17(24-14)15(16(21)25-27)18(28)22-5-2-8-29-19(12)23-10-11;1-3-29-19(27)15-16(21)24-26-8-6-14(23-17(15)26)25-7-4-5-13(25)12-9-11(20)10-22-18(12)28-2;1-27-16-10(7-9(18)8-20-16)11-3-2-5-23(11)12-4-6-24-15(21-12)13(17(25)26)14(19)22-24;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14;2-1-4-3;;;;;;/h5,9-11,14H,2-4,6-8H2,1H3,(H2,23,27)(H,24,30);5,8,10-11,14,29H,2-4,6-7,9H2,1H3,(H2,22,26)(H,23,30);4,8-10,13H,1-3,5-7H2,(H2,21,24)(H,22,28);4,7,9-10,13H,1-3,5-6,8H2,(H2,21,25)(H,22,28);6,8-10,13H,3-5,7H2,1-2H3,(H2,21,24);4,6-8,11H,2-3,5H2,1H3,(H2,19,22)(H,25,26);5-6,9,12H,2-4H2,1H3;3-4H,2H2,1H3,(H2,11,13);1,3H;1H;;;;1H2;/q;;;;;;;;;;3*+1;;-1/p-2/t2*14-;3*13-;11-;9-;;;;;;;;/m1111111......../s1
InChIKeyVJWRCLVJARHCNB-VBYSINOGSA-L
MW3270.08 g/mol
LogP3.51
Rot. Bonds28

About dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride

dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride (PubChem CID 162058400) has the molecular formula C134H151Cl3Cs2F7LiN46O22 and a molecular weight of 3270.08 g/mol. Its IUPAC name is dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride.

Molecular Properties

Compound Namedicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride
PubChem CID162058400
Molecular FormulaC134H151Cl3Cs2F7LiN46O22
Molecular Weight3270.08 g/mol
Exact Mass3266.93
IUPAC Namedicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride
SMILESCCOC(=O)c1c(N)nn2ccc(Cl)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCCl)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCO)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)O)c2n1.Cl.Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1[C@H]1CCCN31.Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc(c1=O)[C@H]1CCCN31.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-]
InChIInChI=1S/C20H23ClFN7O2.C20H24FN7O3.2C19H20FN7O2.C19H21FN6O3.C17H17FN6O3.C10H13FN2O.C9H9ClN4O2.CH2O3.ClH.2Cs.Li.H2O.H/c1-31-20-13(10-12(22)11-25-20)14-4-2-8-28(14)15-5-9-29-18(26-15)16(17(23)27-29)19(30)24-7-3-6-21;1-31-20-13(10-12(21)11-24-20)14-4-2-7-27(14)15-5-8-28-18(25-15)16(17(22)26-28)19(30)23-6-3-9-29;20-11-9-12-13-3-1-7-26(13)14-4-8-27-17(23-14)15(16(21)24-27)18(28)22-5-2-6-25(10-11)19(12)29;20-11-9-12-13-3-1-6-26(13)14-4-7-27-17(24-14)15(16(21)25-27)18(28)22-5-2-8-29-19(12)23-10-11;1-3-29-19(27)15-16(21)24-26-8-6-14(23-17(15)26)25-7-4-5-13(25)12-9-11(20)10-22-18(12)28-2;1-27-16-10(7-9(18)8-20-16)11-3-2-5-23(11)12-4-6-24-15(21-12)13(17(25)26)14(19)22-24;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14;2-1-4-3;;;;;;/h5,9-11,14H,2-4,6-8H2,1H3,(H2,23,27)(H,24,30);5,8,10-11,14,29H,2-4,6-7,9H2,1H3,(H2,22,26)(H,23,30);4,8-10,13H,1-3,5-7H2,(H2,21,24)(H,22,28);4,7,9-10,13H,1-3,5-6,8H2,(H2,21,25)(H,22,28);6,8-10,13H,3-5,7H2,1-2H3,(H2,21,24);4,6-8,11H,2-3,5H2,1H3,(H2,19,22)(H,25,26);5-6,9,12H,2-4H2,1H3;3-4H,2H2,1H3,(H2,11,13);1,3H;1H;;;;1H2;/q;;;;;;;;;;3*+1;;-1/p-2/t2*14-;3*13-;11-;9-;;;;;;;;/m1111111......../s1
InChIKeyVJWRCLVJARHCNB-VBYSINOGSA-L
XLogP3.51
TPSA885.55 Ų
H-Bond Donors14
H-Bond Acceptors63
Rotatable Bonds28
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003270.08
LogP ≤ 53.51
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride?
The IUPAC name of dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride (CID 162058400) is dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride.
What is the SMILES notation for dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride?
The canonical SMILES for dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride is CCOC(=O)c1c(N)nn2ccc(Cl)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1[C@H]1CCCN1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCCl)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)NCCCO)c2n1.COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(N)c(C(=O)O)c2n1.Cl.Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1[C@H]1CCCN31.Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc(c1=O)[C@H]1CCCN31.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].
What is the InChIKey of dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride?
The InChIKey is VJWRCLVJARHCNB-VBYSINOGSA-L. The full InChI is InChI=1S/C20H23ClFN7O2.C20H24FN7O3.2C19H20FN7O2.C19H21FN6O3.C17H17FN6O3.C10H13FN2O.C9H9ClN4O2.CH2O3.ClH.2Cs.Li.H2O.H/c1-31-20-13(10-12(22)11-25-20)14-4-2-8-28(14)15-5-9-29-18(26-15)16(17(23)27-29)19(30)24-7-3-6-21;1-31-20-13(10-12(21)11-24-20)14-4-2-7-27(14)15-5-8-28-18(25-15)16(17(22)26-28)19(30)23-6-3-9-29;20-11-9-12-13-3-1-7-26(13)14-4-8-27-17(23-14)15(16(21)24-27)18(28)22-5-2-6-25(10-11)19(12)29;20-11-9-12-13-3-1-6-26(13)14-4-7-27-17(24-14)15(16(21)25-27)18(28)22-5-2-8-29-19(12)23-10-11;1-3-29-19(27)15-16(21)24-26-8-6-14(23-17(15)26)25-7-4-5-13(25)12-9-11(20)10-22-18(12)28-2;1-27-16-10(7-9(18)8-20-16)11-3-2-5-23(11)12-4-6-24-15(21-12)13(17(25)26)14(19)22-24;1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14;2-1-4-3;;;;;;/h5,9-11,14H,2-4,6-8H2,1H3,(H2,23,27)(H,24,30);5,8,10-11,14,29H,2-4,6-7,9H2,1H3,(H2,22,26)(H,23,30);4,8-10,13H,1-3,5-7H2,(H2,21,24)(H,22,28);4,7,9-10,13H,1-3,5-6,8H2,(H2,21,25)(H,22,28);6,8-10,13H,3-5,7H2,1-2H3,(H2,21,24);4,6-8,11H,2-3,5H2,1H3,(H2,19,22)(H,25,26);5-6,9,12H,2-4H2,1H3;3-4H,2H2,1H3,(H2,11,13);1,3H;1H;;;;1H2;/q;;;;;;;;;;3*+1;;-1/p-2/t2*14-;3*13-;11-;9-;;;;;;;;/m1111111......../s1.
What are the key properties of dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride?
dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride has a molecular weight of 3270.08 g/mol, XLogP of 3.51, 28 rotatable bonds, 14 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;lithium;2-amino-N-(3-chloropropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(6R)-18-amino-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-20-amino-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydride;oxido formate;hydroxide;hydrochloride is sourced from PubChem (CID 162058400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).