tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate

C201H201Cl3F13N25O31 — CID 158279697

About tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate

tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate (PubChem CID 158279697) has the molecular formula C201H201Cl3F13N25O31 and a molecular weight of 3816.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate
• PubChem CID: 158279697
• Molecular Formula: C201H201Cl3F13N25O31
• Molecular Weight: 3816.30 g/mol
• Exact Mass: 3812.38
• IUPAC Name: tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate
• SMILES: C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC)c32)C1.CCO.COc1cccc(Oc2ccc(-c3[nH]nc4c(F)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4c(F)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4c(OC)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCNC4)c4c(OC)cncc34)cc2)c1F.COc1cccc(Oc2ccc(C(=O)c3cncc(F)c3Cl)cc2)c1F.COc1cccc(Oc2ccc(C(O)c3cncc(F)c3Cl)cc2)c1F.COc1cccc(Oc2ccc(C=O)cc2)c1F.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.Fc1cnccc1Cl.O.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C30H33FN4O5.C29H30F2N4O4.C28H27FN4O4.C25H25FN4O3.C19H14ClF2NO3.C19H12ClF2NO3.C19H13F2N3O2.C14H11FO3.C11H21NO2.C5H3ClFN.C2H6O.H2N2.H2O.H2/c1-30(2,3)40-29(36)34-15-7-8-20(18-34)35-28-22(16-32-17-25(28)38-5)27(33-35)19-11-13-21(14-12-19)39-24-10-6-9-23(37-4)26(24)31;1-29(2,3)39-28(36)34-14-6-7-19(17-34)35-27-21(15-32-16-22(27)30)26(33-35)18-10-12-20(13-11-18)38-24-9-5-8-23(37-4)25(24)31;1-4-25(34)32-14-6-7-19(17-32)33-28-21(15-30-16-24(28)36-3)27(31-33)18-10-12-20(13-11-18)37-23-9-5-8-22(35-2)26(23)29;1-31-20-6-3-7-21(23(20)26)33-18-10-8-16(9-11-18)24-19-14-28-15-22(32-2)25(19)30(29-24)17-5-4-12-27-13-17;2*1-25-15-3-2-4-16(18(15)22)26-12-7-5-11(6-8-12)19(24)13-9-23-10-14(21)17(13)20;1-25-15-3-2-4-16(17(15)21)26-12-7-5-11(6-8-12)18-13-9-22-10-14(20)19(13)24-23-18;1-17-12-3-2-4-13(14(12)15)18-11-7-5-10(9-16)6-8-11;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;6-4-1-2-8-3-5(4)7;1-2-3;1-2;;/h6,9-14,16-17,20H,7-8,15,18H2,1-5H3;5,8-13,15-16,19H,6-7,14,17H2,1-4H3;4-5,8-13,15-16,19H,1,6-7,14,17H2,2-3H3;3,6-11,14-15,17,27H,4-5,12-13H2,1-2H3;2-10,19,24H,1H3;2-10H,1H3;2-10H,1H3,(H,23,24);2-9H,1H3;9H,5-8H2,1-4H3;1-3H;3H,2H2,1H3;1-2H;1H2;1H/b;;;;;;;;;;;2-1+;;/t20-;2*19-;17-;;;;;9-;;;;;/m1111....0...../s1
• InChIKey: QITFJSAGTXSQHT-JRLCIARBSA-N
• XLogP: 46.36
• TPSA: 653.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 42
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3816.30
LogP ≤ 5	46.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate?

The IUPAC name of tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate (CID 158279697) is tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate.

What is the SMILES notation for tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate?

The canonical SMILES for tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC)c32)C1.CCO.COc1cccc(Oc2ccc(-c3[nH]nc4c(F)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4c(F)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4c(OC)cncc34)cc2)c1F.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCNC4)c4c(OC)cncc34)cc2)c1F.COc1cccc(Oc2ccc(C(=O)c3cncc(F)c3Cl)cc2)c1F.COc1cccc(Oc2ccc(C(O)c3cncc(F)c3Cl)cc2)c1F.COc1cccc(Oc2ccc(C=O)cc2)c1F.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.Fc1cnccc1Cl.O.[H]/N=N/[H].[H][H].

What is the InChIKey of tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate?

The InChIKey is QITFJSAGTXSQHT-JRLCIARBSA-N. The full InChI is InChI=1S/C30H33FN4O5.C29H30F2N4O4.C28H27FN4O4.C25H25FN4O3.C19H14ClF2NO3.C19H12ClF2NO3.C19H13F2N3O2.C14H11FO3.C11H21NO2.C5H3ClFN.C2H6O.H2N2.H2O.H2/c1-30(2,3)40-29(36)34-15-7-8-20(18-34)35-28-22(16-32-17-25(28)38-5)27(33-35)19-11-13-21(14-12-19)39-24-10-6-9-23(37-4)26(24)31;1-29(2,3)39-28(36)34-14-6-7-19(17-34)35-27-21(15-32-16-22(27)30)26(33-35)18-10-12-20(13-11-18)38-24-9-5-8-23(37-4)25(24)31;1-4-25(34)32-14-6-7-19(17-32)33-28-21(15-30-16-24(28)36-3)27(31-33)18-10-12-20(13-11-18)37-23-9-5-8-22(35-2)26(23)29;1-31-20-6-3-7-21(23(20)26)33-18-10-8-16(9-11-18)24-19-14-28-15-22(32-2)25(19)30(29-24)17-5-4-12-27-13-17;2*1-25-15-3-2-4-16(18(15)22)26-12-7-5-11(6-8-12)19(24)13-9-23-10-14(21)17(13)20;1-25-15-3-2-4-16(17(15)21)26-12-7-5-11(6-8-12)18-13-9-22-10-14(20)19(13)24-23-18;1-17-12-3-2-4-13(14(12)15)18-11-7-5-10(9-16)6-8-11;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;6-4-1-2-8-3-5(4)7;1-2-3;1-2;;/h6,9-14,16-17,20H,7-8,15,18H2,1-5H3;5,8-13,15-16,19H,6-7,14,17H2,1-4H3;4-5,8-13,15-16,19H,1,6-7,14,17H2,2-3H3;3,6-11,14-15,17,27H,4-5,12-13H2,1-2H3;2-10,19,24H,1H3;2-10H,1H3;2-10H,1H3,(H,23,24);2-9H,1H3;9H,5-8H2,1-4H3;1-3H;3H,2H2,1H3;1-2H;1H2;1H/b;;;;;;;;;;;2-1+;;/t20-;2*19-;17-;;;;;9-;;;;;/m1111....0...../s1.

What are the key properties of tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate?

tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate has a molecular weight of 3816.30 g/mol, XLogP of 46.36, 42 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;4-chloro-3-fluoropyridine;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol;(4-chloro-5-fluoro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanone;diazene;ethanol;7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine;1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;molecular hydrogen;hydrate is sourced from PubChem (CID 158279697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).