(1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C173H212F13N19O9 — CID 159319106

About (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

(1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 159319106) has the molecular formula C173H212F13N19O9 and a molecular weight of 2948.70 g/mol. Its IUPAC name is (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• PubChem CID: 159319106
• Molecular Formula: C173H212F13N19O9
• Molecular Weight: 2948.70 g/mol
• Exact Mass: 2946.65
• IUPAC Name: (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• SMILES: CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3C3COC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3(C)COC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3CCC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3COC3)c(F)c2)C1.CCC1CN(CCOc2cnc([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1.C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CCCC3)cc2F)N1CC(C)(C)F
• InChI: InChI=1S/C30H37F2N3O2.C30H37F2N3O.C29H35F2N3O2.C28H34F3N3O.C28H36F2N4O.C28H33F2N3O2/c1-4-20-14-34(15-20)9-10-37-21-12-24(31)27(25(32)13-21)29-28-23(22-7-5-6-8-26(22)33-28)11-19(2)35(29)16-30(3)17-36-18-30;1-3-20-16-34(17-20)11-12-36-22-14-25(31)28(26(32)15-22)30-29-24(23-9-4-5-10-27(23)33-29)13-19(2)35(30)18-21-7-6-8-21;1-3-19-13-33(14-19)8-9-36-21-11-24(30)27(25(31)12-21)29-28-23(22-6-4-5-7-26(22)32-28)10-18(2)34(29)15-20-16-35-17-20;1-18-14-21-20-8-4-5-9-24(20)32-26(21)27(34(18)17-28(2,3)31)25-22(29)15-19(16-23(25)30)35-13-12-33-10-6-7-11-33;1-5-19-15-33(16-19)10-11-35-20-13-23(29)26(31-14-20)27-25-22(21-8-6-7-9-24(21)32-25)12-18(2)34(27)17-28(3,4)30;1-3-18-13-32(14-18)8-9-35-20-11-23(29)26(24(30)12-20)28-27-22(21-6-4-5-7-25(21)31-27)10-17(2)33(28)19-15-34-16-19/h5-8,12-13,19-20,29,33H,4,9-11,14-18H2,1-3H3;4-5,9-10,14-15,19-21,30,33H,3,6-8,11-13,16-18H2,1-2H3;4-7,11-12,18-20,29,32H,3,8-10,13-17H2,1-2H3;4-5,8-9,15-16,18,27,32H,6-7,10-14,17H2,1-3H3;6-9,13-14,18-19,27,32H,5,10-12,15-17H2,1-4H3;4-7,11-12,17-19,28,31H,3,8-10,13-16H2,1-2H3/t19-,29-;19-,30-;18-,29-;18-,27-;18-,27+;17-,28-/m111111/s1
• InChIKey: LDNIAXSTANBVID-MJYWPFJHSA-N
• XLogP: 33.40
• TPSA: 229.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 46
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2948.70
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The IUPAC name of (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 159319106) is (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

What is the SMILES notation for (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The canonical SMILES for (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3C3COC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3(C)COC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3CCC3)c(F)c2)C1.CCC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC3COC3)c(F)c2)C1.CCC1CN(CCOc2cnc([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1.C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CCCC3)cc2F)N1CC(C)(C)F.

What is the InChIKey of (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The InChIKey is LDNIAXSTANBVID-MJYWPFJHSA-N. The full InChI is InChI=1S/C30H37F2N3O2.C30H37F2N3O.C29H35F2N3O2.C28H34F3N3O.C28H36F2N4O.C28H33F2N3O2/c1-4-20-14-34(15-20)9-10-37-21-12-24(31)27(25(32)13-21)29-28-23(22-7-5-6-8-26(22)33-28)11-19(2)35(29)16-30(3)17-36-18-30;1-3-20-16-34(17-20)11-12-36-22-14-25(31)28(26(32)15-22)30-29-24(23-9-4-5-10-27(23)33-29)13-19(2)35(30)18-21-7-6-8-21;1-3-19-13-33(14-19)8-9-36-21-11-24(30)27(25(31)12-21)29-28-23(22-6-4-5-7-26(22)32-28)10-18(2)34(29)15-20-16-35-17-20;1-18-14-21-20-8-4-5-9-24(20)32-26(21)27(34(18)17-28(2,3)31)25-22(29)15-19(16-23(25)30)35-13-12-33-10-6-7-11-33;1-5-19-15-33(16-19)10-11-35-20-13-23(29)26(31-14-20)27-25-22(21-8-6-7-9-24(21)32-25)12-18(2)34(27)17-28(3,4)30;1-3-18-13-32(14-18)8-9-35-20-11-23(29)26(24(30)12-20)28-27-22(21-6-4-5-7-25(21)31-27)10-17(2)33(28)19-15-34-16-19/h5-8,12-13,19-20,29,33H,4,9-11,14-18H2,1-3H3;4-5,9-10,14-15,19-21,30,33H,3,6-8,11-13,16-18H2,1-2H3;4-7,11-12,18-20,29,32H,3,8-10,13-17H2,1-2H3;4-5,8-9,15-16,18,27,32H,6-7,10-14,17H2,1-3H3;6-9,13-14,18-19,27,32H,5,10-12,15-17H2,1-4H3;4-7,11-12,17-19,28,31H,3,8-10,13-16H2,1-2H3/t19-,29-;19-,30-;18-,29-;18-,27-;18-,27+;17-,28-/m111111/s1.

What are the key properties of (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

(1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 2948.70 g/mol, XLogP of 33.40, 46 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R)-2-(cyclobutylmethyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-2-(oxetan-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1S,3R)-1-[5-[2-(3-ethylazetidin-1-yl)ethoxy]-3-fluoro-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 159319106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).