N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

C165H199F15N36O24 — CID 160691142

IUPACN-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESCC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.CC(C)(OCCO)c1cnc2n1C[C@H](c1c(F)cccc1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12.CC(C)(OCCO)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC5CC5)cnc43)CC2)C(=O)N1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CCC(F)(F)F)cnc43)CC2)C(=O)N1
InChIInChI=1S/C31H36F2N6O5.C28H36F2N6O5.C27H34F2N6O4.C27H32F2N6O3.C26H29F5N6O3.C26H32F2N6O4/c1-30(2,43-16-15-40)24-17-35-27-23(9-8-19(18-39(24)27)25-21(32)6-3-7-22(25)33)36-28(41)38-13-10-31(11-14-38)20-5-4-12-34-26(20)37-29(42)44-31;1-28(2,41-13-12-37)22-14-31-25-21(7-6-17(15-36(22)25)19-4-3-5-20(29)24(19)30)32-26(39)34-10-8-18(9-11-34)35-16-23(38)33-27(35)40;1-27(2,39-3)21-13-30-24-20(8-7-16(14-35(21)24)18-5-4-6-19(28)23(18)29)31-25(37)33-11-9-17(10-12-33)34-15-22(36)32-26(34)38;28-21-3-1-2-20(24(21)29)17-6-7-22(25-30-13-19(34(25)14-17)12-16-4-5-16)31-26(37)33-10-8-18(9-11-33)35-15-23(36)32-27(35)38;27-19-3-1-2-18(22(19)28)15-4-5-20(23-32-12-17(36(23)13-15)6-9-26(29,30)31)33-24(39)35-10-7-16(8-11-35)37-14-21(38)34-25(37)40;1-26(2,38)20-12-29-23-19(7-6-15(13-34(20)23)17-4-3-5-18(27)22(17)28)30-24(36)32-10-8-16(9-11-32)33-14-21(35)31-25(33)37/h3-7,12,17,19,23,40H,8-11,13-16,18H2,1-2H3,(H,36,41)(H,34,37,42);3-5,14,17-18,21,37H,6-13,15-16H2,1-2H3,(H,32,39)(H,33,38,40);4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,31,37)(H,32,36,38);1-3,13,16-18,22H,4-12,14-15H2,(H,31,37)(H,32,36,38);1-3,12,15-16,20H,4-11,13-14H2,(H,33,39)(H,34,38,40);3-5,12,15-16,19,38H,6-11,13-14H2,1-2H3,(H,30,36)(H,31,35,37)/t19-,23-;17-,21-;16-,20-;17-,22-;15-,20-;15-,19-/m111111/s1
InChIKeyRPKNDSSVVLKOHN-GEQWSFQNSA-N
MW3355.60 g/mol
LogP21.01
Rot. Bonds32

About N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (PubChem CID 160691142) has the molecular formula C165H199F15N36O24 and a molecular weight of 3355.60 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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
PubChem CID160691142
Molecular FormulaC165H199F15N36O24
Molecular Weight3355.60 g/mol
Exact Mass3353.52
IUPAC NameN-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESCC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.CC(C)(OCCO)c1cnc2n1C[C@H](c1c(F)cccc1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12.CC(C)(OCCO)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC5CC5)cnc43)CC2)C(=O)N1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CCC(F)(F)F)cnc43)CC2)C(=O)N1
InChIInChI=1S/C31H36F2N6O5.C28H36F2N6O5.C27H34F2N6O4.C27H32F2N6O3.C26H29F5N6O3.C26H32F2N6O4/c1-30(2,43-16-15-40)24-17-35-27-23(9-8-19(18-39(24)27)25-21(32)6-3-7-22(25)33)36-28(41)38-13-10-31(11-14-38)20-5-4-12-34-26(20)37-29(42)44-31;1-28(2,41-13-12-37)22-14-31-25-21(7-6-17(15-36(22)25)19-4-3-5-20(29)24(19)30)32-26(39)34-10-8-18(9-11-34)35-16-23(38)33-27(35)40;1-27(2,39-3)21-13-30-24-20(8-7-16(14-35(21)24)18-5-4-6-19(28)23(18)29)31-25(37)33-11-9-17(10-12-33)34-15-22(36)32-26(34)38;28-21-3-1-2-20(24(21)29)17-6-7-22(25-30-13-19(34(25)14-17)12-16-4-5-16)31-26(37)33-10-8-18(9-11-33)35-15-23(36)32-27(35)38;27-19-3-1-2-18(22(19)28)15-4-5-20(23-32-12-17(36(23)13-15)6-9-26(29,30)31)33-24(39)35-10-7-16(8-11-35)37-14-21(38)34-25(37)40;1-26(2,38)20-12-29-23-19(7-6-15(13-34(20)23)17-4-3-5-18(27)22(17)28)30-24(36)32-10-8-16(9-11-32)33-14-21(35)31-25(33)37/h3-7,12,17,19,23,40H,8-11,13-16,18H2,1-2H3,(H,36,41)(H,34,37,42);3-5,14,17-18,21,37H,6-13,15-16H2,1-2H3,(H,32,39)(H,33,38,40);4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,31,37)(H,32,36,38);1-3,13,16-18,22H,4-12,14-15H2,(H,31,37)(H,32,36,38);1-3,12,15-16,20H,4-11,13-14H2,(H,33,39)(H,34,38,40);3-5,12,15-16,19,38H,6-11,13-14H2,1-2H3,(H,30,36)(H,31,35,37)/t19-,23-;17-,21-;16-,20-;17-,22-;15-,20-;15-,19-/m111111/s1
InChIKeyRPKNDSSVVLKOHN-GEQWSFQNSA-N
XLogP21.01
TPSA687.61 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds32
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003355.60
LogP ≤ 521.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide with MolForge

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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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (CID 160691142) is N-[(6S,9R)-3-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.CC(C)(OCCO)c1cnc2n1C[C@H](c1c(F)cccc1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12.CC(C)(OCCO)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(N2CC(=O)NC2=O)CC1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC5CC5)cnc43)CC2)C(=O)N1.O=C1CN(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CCC(F)(F)F)cnc43)CC2)C(=O)N1.
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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is RPKNDSSVVLKOHN-GEQWSFQNSA-N. The full InChI is InChI=1S/C31H36F2N6O5.C28H36F2N6O5.C27H34F2N6O4.C27H32F2N6O3.C26H29F5N6O3.C26H32F2N6O4/c1-30(2,43-16-15-40)24-17-35-27-23(9-8-19(18-39(24)27)25-21(32)6-3-7-22(25)33)36-28(41)38-13-10-31(11-14-38)20-5-4-12-34-26(20)37-29(42)44-31;1-28(2,41-13-12-37)22-14-31-25-21(7-6-17(15-36(22)25)19-4-3-5-20(29)24(19)30)32-26(39)34-10-8-18(9-11-34)35-16-23(38)33-27(35)40;1-27(2,39-3)21-13-30-24-20(8-7-16(14-35(21)24)18-5-4-6-19(28)23(18)29)31-25(37)33-11-9-17(10-12-33)34-15-22(36)32-26(34)38;28-21-3-1-2-20(24(21)29)17-6-7-22(25-30-13-19(34(25)14-17)12-16-4-5-16)31-26(37)33-10-8-18(9-11-33)35-15-23(36)32-27(35)38;27-19-3-1-2-18(22(19)28)15-4-5-20(23-32-12-17(36(23)13-15)6-9-26(29,30)31)33-24(39)35-10-7-16(8-11-35)37-14-21(38)34-25(37)40;1-26(2,38)20-12-29-23-19(7-6-15(13-34(20)23)17-4-3-5-18(27)22(17)28)30-24(36)32-10-8-16(9-11-32)33-14-21(35)31-25(33)37/h3-7,12,17,19,23,40H,8-11,13-16,18H2,1-2H3,(H,36,41)(H,34,37,42);3-5,14,17-18,21,37H,6-13,15-16H2,1-2H3,(H,32,39)(H,33,38,40);4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,31,37)(H,32,36,38);1-3,13,16-18,22H,4-12,14-15H2,(H,31,37)(H,32,36,38);1-3,12,15-16,20H,4-11,13-14H2,(H,33,39)(H,34,38,40);3-5,12,15-16,19,38H,6-11,13-14H2,1-2H3,(H,30,36)(H,31,35,37)/t19-,23-;17-,21-;16-,20-;17-,22-;15-,20-;15-,19-/m111111/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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 3355.60 g/mol, XLogP of 21.01, 32 rotatable bonds, 15 hydrogen bond donors, and 37 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]-4-(2,4-dioxoimidazolidin-1-yl)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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,6-difluorophenyl)-3-[2-(2-hydroxyethoxy)propan-2-yl]-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-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2,4-dioxoimidazolidin-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]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 160691142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).