(1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate

C173H204F15N39O25 — CID 159381525

About (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate

(1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate (PubChem CID 159381525) has the molecular formula C173H204F15N39O25 and a molecular weight of 3514.75 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate.

Molecular Properties

• Compound Name: (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate
• PubChem CID: 159381525
• Molecular Formula: C173H204F15N39O25
• Molecular Weight: 3514.75 g/mol
• Exact Mass: 3512.57
• IUPAC Name: (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate
• SMILES: CC(=O)N1CCC(OC(=O)N2C[C@H](NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)CC[C@@H](c3cccc(F)c3F)C2)C1.CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NC1CC1)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OC2CCNC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OC2CCOC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OCC(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C31H37F2N7O5.C29H35F2N7O4.C29H34F2N6O5.C29H36F2N6O4.C28H33F2N7O3.C27H29F5N6O4/c1-19(41)38-15-11-23(18-38)45-31(44)39-16-20(24-4-2-5-25(32)27(24)33)7-8-21(17-39)35-29(42)37-13-9-22(10-14-37)40-26-6-3-12-34-28(26)36-30(40)43;30-23-4-1-3-22(25(23)31)18-6-7-19(17-37(16-18)29(41)42-21-8-12-32-15-21)34-27(39)36-13-9-20(10-14-36)38-24-5-2-11-33-26(24)35-28(38)40;30-23-4-1-3-22(25(23)31)18-6-7-19(16-36(15-18)29(40)42-21-10-14-41-17-21)33-27(38)35-12-8-20(9-13-35)37-24-5-2-11-32-26(24)34-28(37)39;1-29(2,3)41-28(40)36-16-18(21-6-4-7-22(30)24(21)31)9-10-19(17-36)33-26(38)35-14-11-20(12-15-35)37-23-8-5-13-32-25(23)34-27(37)39;29-22-4-1-3-21(24(22)30)17-6-7-19(16-36(15-17)27(39)32-18-8-9-18)33-26(38)35-13-10-20(11-14-35)37-23-5-2-12-31-25(23)34-28(37)40;28-20-4-1-3-19(22(20)29)16-6-7-17(14-37(13-16)26(41)42-15-27(30,31)32)34-24(39)36-11-8-18(9-12-36)38-21-5-2-10-33-23(21)35-25(38)40/h2-6,12,20-23H,7-11,13-18H2,1H3,(H,35,42)(H,34,36,43);1-5,11,18-21,32H,6-10,12-17H2,(H,34,39)(H,33,35,40);1-5,11,18-21H,6-10,12-17H2,(H,33,38)(H,32,34,39);4-8,13,18-20H,9-12,14-17H2,1-3H3,(H,33,38)(H,32,34,39);1-5,12,17-20H,6-11,13-16H2,(H,32,39)(H,33,38)(H,31,34,40);1-5,10,16-18H,6-9,11-15H2,(H,34,39)(H,33,35,40)/t20-,21-,23?;2*18-,19-,21?;18-,19-;17-,19-;16-,17-/m111111/s1
• InChIKey: LKYWWWCKYZHFPP-SLQSKPDUSA-N
• XLogP: 22.27
• TPSA: 719.73 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3514.75
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate?

The IUPAC name of (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate (CID 159381525) is (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate.

What is the SMILES notation for (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate?

The canonical SMILES for (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate is CC(=O)N1CCC(OC(=O)N2C[C@H](NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)CC[C@@H](c3cccc(F)c3F)C2)C1.CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NC1CC1)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OC2CCNC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OC2CCOC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OCC(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate?

The InChIKey is LKYWWWCKYZHFPP-SLQSKPDUSA-N. The full InChI is InChI=1S/C31H37F2N7O5.C29H35F2N7O4.C29H34F2N6O5.C29H36F2N6O4.C28H33F2N7O3.C27H29F5N6O4/c1-19(41)38-15-11-23(18-38)45-31(44)39-16-20(24-4-2-5-25(32)27(24)33)7-8-21(17-39)35-29(42)37-13-9-22(10-14-37)40-26-6-3-12-34-28(26)36-30(40)43;30-23-4-1-3-22(25(23)31)18-6-7-19(17-37(16-18)29(41)42-21-8-12-32-15-21)34-27(39)36-13-9-20(10-14-36)38-24-5-2-11-33-26(24)35-28(38)40;30-23-4-1-3-22(25(23)31)18-6-7-19(16-36(15-18)29(40)42-21-10-14-41-17-21)33-27(38)35-12-8-20(9-13-35)37-24-5-2-11-32-26(24)34-28(37)39;1-29(2,3)41-28(40)36-16-18(21-6-4-7-22(30)24(21)31)9-10-19(17-36)33-26(38)35-14-11-20(12-15-35)37-23-8-5-13-32-25(23)34-27(37)39;29-22-4-1-3-21(24(22)30)17-6-7-19(16-36(15-17)27(39)32-18-8-9-18)33-26(38)35-13-10-20(11-14-35)37-23-5-2-12-31-25(23)34-28(37)40;28-20-4-1-3-19(22(20)29)16-6-7-17(14-37(13-16)26(41)42-15-27(30,31)32)34-24(39)36-11-8-18(9-12-36)38-21-5-2-10-33-23(21)35-25(38)40/h2-6,12,20-23H,7-11,13-18H2,1H3,(H,35,42)(H,34,36,43);1-5,11,18-21,32H,6-10,12-17H2,(H,34,39)(H,33,35,40);1-5,11,18-21H,6-10,12-17H2,(H,33,38)(H,32,34,39);4-8,13,18-20H,9-12,14-17H2,1-3H3,(H,33,38)(H,32,34,39);1-5,12,17-20H,6-11,13-16H2,(H,32,39)(H,33,38)(H,31,34,40);1-5,10,16-18H,6-9,11-15H2,(H,34,39)(H,33,35,40)/t20-,21-,23?;2*18-,19-,21?;18-,19-;17-,19-;16-,17-/m111111/s1.

What are the key properties of (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate?

(1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate has a molecular weight of 3514.75 g/mol, XLogP of 22.27, 23 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (1-acetylpyrrolidin-3-yl) (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;tert-butyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;(3S,6R)-N-cyclopropyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;oxolan-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;pyrrolidin-3-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;2,2,2-trifluoroethyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate is sourced from PubChem (CID 159381525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).