N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide

C147H156F19N32O13+ — CID 161488653

About N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide

N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide (PubChem CID 161488653) has the molecular formula C147H156F19N32O13+ and a molecular weight of 2940.04 g/mol. Its IUPAC name is N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide
• PubChem CID: 161488653
• Molecular Formula: C147H156F19N32O13+
• Molecular Weight: 2940.04 g/mol
• Exact Mass: 2938.22
• IUPAC Name: N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide
• SMILES: CC(C)(OCCO)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CC[N+]2(CC1)C(=O)Nc1ncccc12.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC3CC3)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CCC(F)(F)F)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CCC(F)(F)F)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CCC(F)(F)F)cnc43)CC2)O1
• InChI: InChI=1S/C30H35F2N7O4.C30H32F2N6O2.C29H30F5N7O2.C29H29F5N6O3.C29H29F5N6O2/c1-30(2,43-16-15-40)24-17-34-27-22(9-8-19(18-38(24)27)20-5-3-6-21(31)25(20)32)35-28(41)37-11-13-39(14-12-37)23-7-4-10-33-26(23)36-29(39)42;31-23-5-1-3-21(25(23)32)19-8-9-24(27-34-16-20(38(27)17-19)15-18-6-7-18)35-29(40)37-13-10-30(11-14-37)22-4-2-12-33-26(22)36-28(30)39;30-21-4-1-3-20(24(21)31)17-6-7-22(26-36-15-19(40(26)16-17)8-11-29(32,33)34)37-27(42)39-13-9-18(10-14-39)41-23-5-2-12-35-25(23)38-28(41)43;30-21-5-1-3-19(23(21)31)17-6-7-22(25-36-15-18(40(25)16-17)8-9-29(32,33)34)37-26(41)39-13-10-28(11-14-39)20-4-2-12-35-24(20)38-27(42)43-28;30-21-5-1-3-19(23(21)31)17-6-7-22(25-36-15-18(40(25)16-17)8-9-29(32,33)34)37-27(42)39-13-10-28(11-14-39)20-4-2-12-35-24(20)38-26(28)41/h3-7,10,17,19,22,40H,8-9,11-16,18H2,1-2H3,(H-,33,35,36,41,42);1-5,12,16,18-19,24H,6-11,13-15,17H2,(H,35,40)(H,33,36,39);1-5,12,15,17-18,22H,6-11,13-14,16H2,(H,37,42)(H,35,38,43);1-5,12,15,17,22H,6-11,13-14,16H2,(H,37,41)(H,35,38,42);1-5,12,15,17,22H,6-11,13-14,16H2,(H,37,42)(H,35,38,41)/p+1/t19-,22-;19-,24-;3*17-,22-/m11111/s1
• InChIKey: UVRGNJGUOGDRNZ-XFFBOSJCSA-O
• XLogP: 25.48
• TPSA: 508.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2940.04
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?

The IUPAC name of N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide (CID 161488653) is N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?

The canonical SMILES for N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide is CC(C)(OCCO)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CC[N+]2(CC1)C(=O)Nc1ncccc12.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC3CC3)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CCC(F)(F)F)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CCC(F)(F)F)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CCC(F)(F)F)cnc43)CC2)O1.

What is the InChIKey of N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?

The InChIKey is UVRGNJGUOGDRNZ-XFFBOSJCSA-O. The full InChI is InChI=1S/C30H35F2N7O4.C30H32F2N6O2.C29H30F5N7O2.C29H29F5N6O3.C29H29F5N6O2/c1-30(2,43-16-15-40)24-17-34-27-22(9-8-19(18-38(24)27)20-5-3-6-21(31)25(20)32)35-28(41)37-11-13-39(14-12-37)23-7-4-10-33-26(23)36-29(39)42;31-23-5-1-3-21(25(23)32)19-8-9-24(27-34-16-20(38(27)17-19)15-18-6-7-18)35-29(40)37-13-10-30(11-14-37)22-4-2-12-33-26(22)36-28(30)39;30-21-4-1-3-20(24(21)31)17-6-7-22(26-36-15-19(40(26)16-17)8-11-29(32,33)34)37-27(42)39-13-9-18(10-14-39)41-23-5-2-12-35-25(23)38-28(41)43;30-21-5-1-3-19(23(21)31)17-6-7-22(25-36-15-18(40(25)16-17)8-9-29(32,33)34)37-26(41)39-13-10-28(11-14-39)20-4-2-12-35-24(20)38-27(42)43-28;30-21-5-1-3-19(23(21)31)17-6-7-22(25-36-15-18(40(25)16-17)8-9-29(32,33)34)37-27(42)39-13-10-28(11-14-39)20-4-2-12-35-24(20)38-26(28)41/h3-7,10,17,19,22,40H,8-9,11-16,18H2,1-2H3,(H-,33,35,36,41,42);1-5,12,16,18-19,24H,6-11,13-15,17H2,(H,35,40)(H,33,36,39);1-5,12,15,17-18,22H,6-11,13-14,16H2,(H,37,42)(H,35,38,43);1-5,12,15,17,22H,6-11,13-14,16H2,(H,37,41)(H,35,38,42);1-5,12,15,17,22H,6-11,13-14,16H2,(H,37,42)(H,35,38,41)/p+1/t19-,22-;19-,24-;3*17-,22-/m11111/s1.

What are the key properties of N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?

N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide has a molecular weight of 2940.04 g/mol, XLogP of 25.48, 23 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2'-oxospiro[1,4-diazinan-4-ium-4,1'-3H-imidazo[4,5-b]pyridin-1-ium]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 161488653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).