N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C169H186F15N39O16 — CID 158317019

IUPACN-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.NC(=O)CN1C[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)C(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)c2ccccc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2cccnc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C31H32F2N6O3.2C30H33F2N7O2.C26H27F5N6O3.C26H31F2N7O3.C26H30F2N6O3/c32-25-9-4-8-24(27(25)33)21-11-12-22(19-38(18-21)29(40)20-6-2-1-3-7-20)35-30(41)37-16-13-23(14-17-37)39-26-10-5-15-34-28(26)36-31(39)42;31-25-6-1-5-24(27(25)32)21-8-9-22(19-37(18-21)17-20-4-2-12-33-16-20)35-29(40)38-14-10-23(11-15-38)39-26-7-3-13-34-28(26)36-30(39)41;31-25-7-3-6-24(27(25)32)20-9-10-22(19-37(17-20)18-21-5-1-2-13-33-21)35-29(40)38-15-11-23(12-16-38)39-26-8-4-14-34-28(26)36-30(39)41;27-19-4-1-3-18(21(19)28)15-6-7-16(14-36(13-15)23(38)26(29,30)31)33-24(39)35-11-8-17(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;27-20-4-1-3-19(23(20)28)16-6-7-17(14-33(13-16)15-22(29)36)31-25(37)34-11-8-18(9-12-34)35-21-5-2-10-30-24(21)32-26(35)38;1-16(35)33-14-17(20-4-2-5-21(27)23(20)28)7-8-18(15-33)30-25(36)32-12-9-19(10-13-32)34-22-6-3-11-29-24(22)31-26(34)37/h1-10,15,21-23H,11-14,16-19H2,(H,35,41)(H,34,36,42);1-7,12-13,16,21-23H,8-11,14-15,17-19H2,(H,35,40)(H,34,36,41);1-8,13-14,20,22-23H,9-12,15-19H2,(H,35,40)(H,34,36,41);1-5,10,15-17H,6-9,11-14H2,(H,33,39)(H,32,34,40);1-5,10,16-18H,6-9,11-15H2,(H2,29,36)(H,31,37)(H,30,32,38);2-6,11,17-19H,7-10,12-15H2,1H3,(H,30,36)(H,29,31,37)/t2*21-,22-;20-,22-;15-,16-;16-,17-;17-,18-/m111111/s1
InChIKeyGOJOEXBQEMBVTD-IFYNZROISA-N
MW3304.57 g/mol
LogP21.74
Rot. Bonds25

About N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 158317019) has the molecular formula C169H186F15N39O16 and a molecular weight of 3304.57 g/mol. Its IUPAC name is N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID158317019
Molecular FormulaC169H186F15N39O16
Molecular Weight3304.57 g/mol
Exact Mass3302.47
IUPAC NameN-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.NC(=O)CN1C[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)C(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)c2ccccc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2cccnc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C31H32F2N6O3.2C30H33F2N7O2.C26H27F5N6O3.C26H31F2N7O3.C26H30F2N6O3/c32-25-9-4-8-24(27(25)33)21-11-12-22(19-38(18-21)29(40)20-6-2-1-3-7-20)35-30(41)37-16-13-23(14-17-37)39-26-10-5-15-34-28(26)36-31(39)42;31-25-6-1-5-24(27(25)32)21-8-9-22(19-37(18-21)17-20-4-2-12-33-16-20)35-29(40)38-14-10-23(11-15-38)39-26-7-3-13-34-28(26)36-30(39)41;31-25-7-3-6-24(27(25)32)20-9-10-22(19-37(17-20)18-21-5-1-2-13-33-21)35-29(40)38-15-11-23(12-16-38)39-26-8-4-14-34-28(26)36-30(39)41;27-19-4-1-3-18(21(19)28)15-6-7-16(14-36(13-15)23(38)26(29,30)31)33-24(39)35-11-8-17(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;27-20-4-1-3-19(23(20)28)16-6-7-17(14-33(13-16)15-22(29)36)31-25(37)34-11-8-18(9-12-34)35-21-5-2-10-30-24(21)32-26(35)38;1-16(35)33-14-17(20-4-2-5-21(27)23(20)28)7-8-18(15-33)30-25(36)32-12-9-19(10-13-32)34-22-6-3-11-29-24(22)31-26(34)37/h1-10,15,21-23H,11-14,16-19H2,(H,35,41)(H,34,36,42);1-7,12-13,16,21-23H,8-11,14-15,17-19H2,(H,35,40)(H,34,36,41);1-8,13-14,20,22-23H,9-12,15-19H2,(H,35,40)(H,34,36,41);1-5,10,15-17H,6-9,11-14H2,(H,33,39)(H,32,34,40);1-5,10,16-18H,6-9,11-15H2,(H2,29,36)(H,31,37)(H,30,32,38);2-6,11,17-19H,7-10,12-15H2,1H3,(H,30,36)(H,29,31,37)/t2*21-,22-;20-,22-;15-,16-;16-,17-;17-,18-/m111111/s1
InChIKeyGOJOEXBQEMBVTD-IFYNZROISA-N
XLogP21.74
TPSA637.64 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003304.57
LogP ≤ 521.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

tris[[1-[1-[[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamoyl]piperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-3-yl]methyl] phosphate
CID 87570350
tris[2-[1-[1-[[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamoyl]piperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-3-yl]-1,3-diphenylpropan-2-yl] phosphate
CID 87570920
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
bis(carbon dioxide);4-methylpyridin-2-amine;(9S)-N-(4-methyl-2-pyridinyl)-5-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(3S)-4,4,4-trifluoro-3-methyl-1-[(9S)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]butan-1-one
CID 157091390
N-[(6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[(6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[(6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 157227539
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 157276704
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 158317019) is N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is CC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.NC(=O)CN1C[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)C(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)c2ccccc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2cccnc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is GOJOEXBQEMBVTD-IFYNZROISA-N. The full InChI is InChI=1S/C31H32F2N6O3.2C30H33F2N7O2.C26H27F5N6O3.C26H31F2N7O3.C26H30F2N6O3/c32-25-9-4-8-24(27(25)33)21-11-12-22(19-38(18-21)29(40)20-6-2-1-3-7-20)35-30(41)37-16-13-23(14-17-37)39-26-10-5-15-34-28(26)36-31(39)42;31-25-6-1-5-24(27(25)32)21-8-9-22(19-37(18-21)17-20-4-2-12-33-16-20)35-29(40)38-14-10-23(11-15-38)39-26-7-3-13-34-28(26)36-30(39)41;31-25-7-3-6-24(27(25)32)20-9-10-22(19-37(17-20)18-21-5-1-2-13-33-21)35-29(40)38-15-11-23(12-16-38)39-26-8-4-14-34-28(26)36-30(39)41;27-19-4-1-3-18(21(19)28)15-6-7-16(14-36(13-15)23(38)26(29,30)31)33-24(39)35-11-8-17(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;27-20-4-1-3-19(23(20)28)16-6-7-17(14-33(13-16)15-22(29)36)31-25(37)34-11-8-18(9-12-34)35-21-5-2-10-30-24(21)32-26(35)38;1-16(35)33-14-17(20-4-2-5-21(27)23(20)28)7-8-18(15-33)30-25(36)32-12-9-19(10-13-32)34-22-6-3-11-29-24(22)31-26(34)37/h1-10,15,21-23H,11-14,16-19H2,(H,35,41)(H,34,36,42);1-7,12-13,16,21-23H,8-11,14-15,17-19H2,(H,35,40)(H,34,36,41);1-8,13-14,20,22-23H,9-12,15-19H2,(H,35,40)(H,34,36,41);1-5,10,15-17H,6-9,11-14H2,(H,33,39)(H,32,34,40);1-5,10,16-18H,6-9,11-15H2,(H2,29,36)(H,31,37)(H,30,32,38);2-6,11,17-19H,7-10,12-15H2,1H3,(H,30,36)(H,29,31,37)/t2*21-,22-;20-,22-;15-,16-;16-,17-;17-,18-/m111111/s1.
What are the key properties of N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 3304.57 g/mol, XLogP of 21.74, 25 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-acetyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-amino-2-oxoethyl)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-benzoyl-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyridin-3-ylmethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroacetyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 158317019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).