3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

C158H173F10N33O8 — CID 167571280

About 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 167571280) has the molecular formula C158H173F10N33O8 and a molecular weight of 2852.32 g/mol. Its IUPAC name is 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
• PubChem CID: 167571280
• Molecular Formula: C158H173F10N33O8
• Molecular Weight: 2852.32 g/mol
• Exact Mass: 2850.40
• IUPAC Name: 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
• SMILES: CCC1COCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.C[C@@H]1CN(Cc2cc3c(c(C4CC4)n2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCC1(F)F.C[C@H]1CCCN(Cc2cc3c(c(C4CC4)n2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCOC(CO)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(F)(F)C5)nc4C4CC4)C3=O)c2)CC(C#N)C1
• InChI: InChI=1S/C32H35F3N6O2.C32H35F2N7O.C32H37N7O.C31H33F3N6O3.C31H33F2N7O/c1-3-21-16-40(7-8-43-19-21)17-22-9-26-27(28(10-22)32(33,34)35)18-41(30(26)42)25-6-4-5-24(11-25)31(12-23(13-31)15-36)14-29-38-37-20-39(29)2;1-20-16-40(9-8-32(20,33)34)17-24-11-26-27(29(37-24)22-6-7-22)18-41(30(26)42)25-5-3-4-23(10-25)31(12-21(13-31)15-35)14-28-38-36-19-39(28)2;1-21-5-4-10-38(17-21)18-25-12-27-28(30(35-25)23-8-9-23)19-39(31(27)40)26-7-3-6-24(11-26)32(13-22(14-32)16-33)15-29-36-34-20-37(29)2;1-38-19-36-37-28(38)13-30(11-21(12-30)14-35)22-4-2-5-23(10-22)40-17-26-25(29(40)42)8-20(9-27(26)31(32,33)34)15-39-6-3-7-43-24(16-39)18-41;1-39-18-36-38-27(39)14-30(11-19(12-30)15-34)21-3-2-4-24(9-21)40-17-26-25(29(40)41)10-23(37-28(26)20-5-6-20)16-35-22-7-8-31(32,33)13-22/h4-6,9-11,20-21,23H,3,7-8,12-14,16-19H2,1-2H3;3-5,10-11,19-22H,6-9,12-14,16-18H2,1-2H3;3,6-7,11-12,20-23H,4-5,8-10,13-15,17-19H2,1-2H3;2,4-5,8-10,19,21,24,41H,3,6-7,11-13,15-18H2,1H3;2-4,9-10,18-20,22,35H,5-8,11-14,16-17H2,1H3/t;20-,21?,31?;21-,22?,32?;;/m.10../s1
• InChIKey: FXZVSERBNNNBBO-FTQNDVNGSA-N
• XLogP: 24.23
• TPSA: 476.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.32
LogP ≤ 5	24.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?

The IUPAC name of 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile (CID 167571280) is 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

What is the SMILES notation for 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?

The canonical SMILES for 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile is CCC1COCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.C[C@@H]1CN(Cc2cc3c(c(C4CC4)n2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCC1(F)F.C[C@H]1CCCN(Cc2cc3c(c(C4CC4)n2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCOC(CO)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(F)(F)C5)nc4C4CC4)C3=O)c2)CC(C#N)C1.

What is the InChIKey of 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?

The InChIKey is FXZVSERBNNNBBO-FTQNDVNGSA-N. The full InChI is InChI=1S/C32H35F3N6O2.C32H35F2N7O.C32H37N7O.C31H33F3N6O3.C31H33F2N7O/c1-3-21-16-40(7-8-43-19-21)17-22-9-26-27(28(10-22)32(33,34)35)18-41(30(26)42)25-6-4-5-24(11-25)31(12-23(13-31)15-36)14-29-38-37-20-39(29)2;1-20-16-40(9-8-32(20,33)34)17-24-11-26-27(29(37-24)22-6-7-22)18-41(30(26)42)25-5-3-4-23(10-25)31(12-21(13-31)15-35)14-28-38-36-19-39(28)2;1-21-5-4-10-38(17-21)18-25-12-27-28(30(35-25)23-8-9-23)19-39(31(27)40)26-7-3-6-24(11-26)32(13-22(14-32)16-33)15-29-36-34-20-37(29)2;1-38-19-36-37-28(38)13-30(11-21(12-30)14-35)22-4-2-5-23(10-22)40-17-26-25(29(40)42)8-20(9-27(26)31(32,33)34)15-39-6-3-7-43-24(16-39)18-41;1-39-18-36-38-27(39)14-30(11-19(12-30)15-34)21-3-2-4-24(9-21)40-17-26-25(29(40)41)10-23(37-28(26)20-5-6-20)16-35-22-7-8-31(32,33)13-22/h4-6,9-11,20-21,23H,3,7-8,12-14,16-19H2,1-2H3;3-5,10-11,19-22H,6-9,12-14,16-18H2,1-2H3;3,6-7,11-12,20-23H,4-5,8-10,13-15,17-19H2,1-2H3;2,4-5,8-10,19,21,24,41H,3,6-7,11-13,15-18H2,1H3;2-4,9-10,18-20,22,35H,5-8,11-14,16-17H2,1H3/t;20-,21?,31?;21-,22?,32?;;/m.10../s1.

What are the key properties of 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?

3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 2852.32 g/mol, XLogP of 24.23, 36 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-cyclopropyl-6-[[(3,3-difluorocyclopentyl)amino]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[4-cyclopropyl-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(6-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[2-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167571280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).