bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol

C193H214F9N45O29S — CID 162025522

About bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol

bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol (PubChem CID 162025522) has the molecular formula C193H214F9N45O29S and a molecular weight of 3831.17 g/mol. Its IUPAC name is bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol.

Molecular Properties

• Compound Name: bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol
• PubChem CID: 162025522
• Molecular Formula: C193H214F9N45O29S
• Molecular Weight: 3831.17 g/mol
• Exact Mass: 3828.62
• IUPAC Name: bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol
• SMILES: C.C.CC(CO)CO.CC(CO)COc1ccc(F)cc1C1CCCN1c1ccn2ncc([N+](=O)[O-])c2n1.CC(COc1ccc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O.CC(COc1ccc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O.CC1COc2ccc(F)cc2C2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@H]1COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.Cc1ccc(S(=O)(=O)OCC(C)CO)cc1.O=[N+]([O-])c1cnn2ccc(N3CCCC3c3cc(F)ccc3O)nc12
• InChI: InChI=1S/C20H22FN5O4.2C20H22FN5O3.5C20H20FN5O2.C16H14FN5O3.C11H16O4S.C4H10O2.2CH4/c1-13(11-27)12-30-18-5-4-14(21)9-15(18)16-3-2-7-24(16)19-6-8-25-20(23-19)17(10-22-25)26(28)29;2*1-12(20(27)28)11-29-17-5-4-13(21)9-14(17)16-3-2-7-25(16)18-6-8-26-19(24-18)15(22)10-23-26;5*1-12-11-28-17-5-4-13(21)9-14(17)16-3-2-7-25(16)18-6-8-26-19(24-18)15(10-22-26)23-20(12)27;17-10-3-4-14(23)11(8-10)12-2-1-6-20(12)15-5-7-21-16(19-15)13(9-18-21)22(24)25;1-9-3-5-11(6-4-9)16(13,14)15-8-10(2)7-12;1-4(2-5)3-6;;/h4-6,8-10,13,16,27H,2-3,7,11-12H2,1H3;2*4-6,8-10,12,16H,2-3,7,11,22H2,1H3,(H,27,28);5*4-6,8-10,12,16H,2-3,7,11H2,1H3,(H,23,27);3-5,7-9,12,23H,1-2,6H2;3-6,10,12H,7-8H2,1-2H3;4-6H,2-3H2,1H3;2*1H4/t;;;3*12-,16+;12-,16-;;;;;;/m...1101....../s1
• InChIKey: YVHYYBOIFGKXJV-SYLXFXRMSA-N
• XLogP: 29.82
• TPSA: 877.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 65
• Rotatable Bonds: 29
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3831.17
LogP ≤ 5	29.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol?

The IUPAC name of bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol (CID 162025522) is bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol.

What is the SMILES notation for bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol?

The canonical SMILES for bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol is C.C.CC(CO)CO.CC(CO)COc1ccc(F)cc1C1CCCN1c1ccn2ncc([N+](=O)[O-])c2n1.CC(COc1ccc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O.CC(COc1ccc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O.CC1COc2ccc(F)cc2C2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@@H]1COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.C[C@H]1COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)NC1=O.Cc1ccc(S(=O)(=O)OCC(C)CO)cc1.O=[N+]([O-])c1cnn2ccc(N3CCCC3c3cc(F)ccc3O)nc12.

What is the InChIKey of bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol?

The InChIKey is YVHYYBOIFGKXJV-SYLXFXRMSA-N. The full InChI is InChI=1S/C20H22FN5O4.2C20H22FN5O3.5C20H20FN5O2.C16H14FN5O3.C11H16O4S.C4H10O2.2CH4/c1-13(11-27)12-30-18-5-4-14(21)9-15(18)16-3-2-7-24(16)19-6-8-25-20(23-19)17(10-22-25)26(28)29;2*1-12(20(27)28)11-29-17-5-4-13(21)9-14(17)16-3-2-7-25(16)18-6-8-26-19(24-18)15(22)10-23-26;5*1-12-11-28-17-5-4-13(21)9-14(17)16-3-2-7-25(16)18-6-8-26-19(24-18)15(10-22-26)23-20(12)27;17-10-3-4-14(23)11(8-10)12-2-1-6-20(12)15-5-7-21-16(19-15)13(9-18-21)22(24)25;1-9-3-5-11(6-4-9)16(13,14)15-8-10(2)7-12;1-4(2-5)3-6;;/h4-6,8-10,13,16,27H,2-3,7,11-12H2,1H3;2*4-6,8-10,12,16H,2-3,7,11,22H2,1H3,(H,27,28);5*4-6,8-10,12,16H,2-3,7,11H2,1H3,(H,23,27);3-5,7-9,12,23H,1-2,6H2;3-6,10,12H,7-8H2,1-2H3;4-6H,2-3H2,1H3;2*1H4/t;;;3*12-,16+;12-,16-;;;;;;/m...1101....../s1.

What are the key properties of bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol?

bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol has a molecular weight of 3831.17 g/mol, XLogP of 29.82, 29 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[2-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-4-fluorophenoxy]-2-methylpropanoic acid);bis((6S,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one);(6R,15R)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;(6R,15S)-9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;9-fluoro-15-methyl-13-oxa-2,17,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-one;4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenol;3-[4-fluoro-2-[1-(3-nitropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]phenoxy]-2-methylpropan-1-ol;(3-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate;methane;2-methylpropane-1,3-diol is sourced from PubChem (CID 162025522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).