(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C167H201F15N42O18 — CID 159394559

IUPAC(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CCNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NC1CCCC1)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NCC(F)(F)F)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)N2CCCC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C30H37F2N7O3.C29H35F2N7O3.C28H35F2N7O3.C27H30F5N7O3.C27H33F2N7O3.C26H31F2N7O3/c31-24-8-3-7-23(26(24)32)19-10-11-21(18-38(17-19)29(41)34-20-5-1-2-6-20)35-28(40)37-15-12-22(13-16-37)39-25-9-4-14-33-27(25)36-30(39)42;30-23-6-3-5-22(25(23)31)19-8-9-20(18-37(17-19)29(41)36-13-1-2-14-36)33-27(39)35-15-10-21(11-16-35)38-24-7-4-12-32-26(24)34-28(38)40;1-17(2)32-26(38)36-15-18(21-5-3-6-22(29)24(21)30)8-9-19(16-36)33-27(39)35-13-10-20(11-14-35)37-23-7-4-12-31-25(23)34-28(37)40;28-20-4-1-3-19(22(20)29)16-6-7-17(14-38(13-16)24(40)34-15-27(30,31)32)35-25(41)37-11-8-18(9-12-37)39-21-5-2-10-33-23(21)36-26(39)42;1-2-30-25(37)35-15-17(20-5-3-6-21(28)23(20)29)8-9-18(16-35)32-26(38)34-13-10-19(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-29-24(36)34-14-16(19-4-2-5-20(27)22(19)28)7-8-17(15-34)31-25(37)33-12-9-18(10-13-33)35-21-6-3-11-30-23(21)32-26(35)38/h3-4,7-9,14,19-22H,1-2,5-6,10-13,15-18H2,(H,34,41)(H,35,40)(H,33,36,42);3-7,12,19-21H,1-2,8-11,13-18H2,(H,33,39)(H,32,34,40);3-7,12,17-20H,8-11,13-16H2,1-2H3,(H,32,38)(H,33,39)(H,31,34,40);1-5,10,16-18H,6-9,11-15H2,(H,34,40)(H,35,41)(H,33,36,42);3-7,12,17-19H,2,8-11,13-16H2,1H3,(H,30,37)(H,32,38)(H,31,33,39);2-6,11,16-18H,7-10,12-15H2,1H3,(H,29,36)(H,31,37)(H,30,32,38)/t19-,21-;19-,20-;18-,19-;16-,17-;17-,18-;16-,17-/m111111/s1
InChIKeyLMNWPZPRCGUJRP-XXGHPQCASA-N
MW3369.69 g/mol
LogP21.91
Rot. Bonds22

About (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 159394559) has the molecular formula C167H201F15N42O18 and a molecular weight of 3369.69 g/mol. Its IUPAC name is (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID159394559
Molecular FormulaC167H201F15N42O18
Molecular Weight3369.69 g/mol
Exact Mass3367.59
IUPAC Name(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CCNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NC1CCCC1)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NCC(F)(F)F)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)N2CCCC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C30H37F2N7O3.C29H35F2N7O3.C28H35F2N7O3.C27H30F5N7O3.C27H33F2N7O3.C26H31F2N7O3/c31-24-8-3-7-23(26(24)32)19-10-11-21(18-38(17-19)29(41)34-20-5-1-2-6-20)35-28(40)37-15-12-22(13-16-37)39-25-9-4-14-33-27(25)36-30(39)42;30-23-6-3-5-22(25(23)31)19-8-9-20(18-37(17-19)29(41)36-13-1-2-14-36)33-27(39)35-15-10-21(11-16-35)38-24-7-4-12-32-26(24)34-28(38)40;1-17(2)32-26(38)36-15-18(21-5-3-6-22(29)24(21)30)8-9-19(16-36)33-27(39)35-13-10-20(11-14-35)37-23-7-4-12-31-25(23)34-28(37)40;28-20-4-1-3-19(22(20)29)16-6-7-17(14-38(13-16)24(40)34-15-27(30,31)32)35-25(41)37-11-8-18(9-12-37)39-21-5-2-10-33-23(21)36-26(39)42;1-2-30-25(37)35-15-17(20-5-3-6-21(28)23(20)29)8-9-18(16-35)32-26(38)34-13-10-19(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-29-24(36)34-14-16(19-4-2-5-20(27)22(19)28)7-8-17(15-34)31-25(37)33-12-9-18(10-13-33)35-21-6-3-11-30-23(21)32-26(35)38/h3-4,7-9,14,19-22H,1-2,5-6,10-13,15-18H2,(H,34,41)(H,35,40)(H,33,36,42);3-7,12,19-21H,1-2,8-11,13-18H2,(H,33,39)(H,32,34,40);3-7,12,17-20H,8-11,13-16H2,1-2H3,(H,32,38)(H,33,39)(H,31,34,40);1-5,10,16-18H,6-9,11-15H2,(H,34,40)(H,35,41)(H,33,36,42);3-7,12,17-19H,2,8-11,13-16H2,1H3,(H,30,37)(H,32,38)(H,31,33,39);2-6,11,16-18H,7-10,12-15H2,1H3,(H,29,36)(H,31,37)(H,30,32,38)/t19-,21-;19-,20-;18-,19-;16-,17-;17-,18-;16-,17-/m111111/s1
InChIKeyLMNWPZPRCGUJRP-XXGHPQCASA-N
XLogP21.91
TPSA683.37 Ų
H-Bond Donors17
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003369.69
LogP ≤ 521.91
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1030

Analyze (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)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
(3R,6S)-3-[[4-[4-[3-[(3S,6R)-1-(cyclopropylmethylcarbamoyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepan-3-yl]-4,5-difluorophenyl]-2-oxo-3,5-dihydroimidazo[4,5-b]pyridin-1-yl]piperidine-1-carbonyl]amino]-6-(2,3-difluorophenyl)-N-methylazepane-1-carboxamide
CID 143222315
(9S)-5-chloro-N-[2-(3,3,3-trifluoropropyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;methane;(9S)-N-pyridin-2-yl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157164542
(9S)-5-(2-methyl-4-pyridinyl)-N-(4-pyrrolidin-1-yl-2-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157421670
N-[(3S,6R)-7-amino-3-(2,3-difluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-iminoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-methyliminoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-methylimino-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3S,6R)-3-(2,3-difluorophenyl)-7-(2,2,2-trifluoroethylamino)-3,4,5,6-tetrahydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 157669974
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
(9S)-5-(6-methyl-3-pyridinyl)-N-pyridin-3-yl-4-(trifluoromethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene;pyridin-3-amine
CID 157711987
3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione;(9S)-N-pyridin-2-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 157765469
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-methyliminoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-imino-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 157817811
N-[(6S,9R)-3-cyclopropyl-6-(2,3-difluorophenyl)-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)-2-methyl-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-methyl-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-(oxolan-3-yl)-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-(2,2,2-trifluoroethyl)-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
CID 157876335
N-[(3R,6S)-1-(3-aminopyrrolidine-1-carbonyl)-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-cyclopropylsulfonyl-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-(2-imidazol-1-ylacetyl)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-propan-2-ylsulfonylazepan-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-trifluoroethylsulfonyl)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-(trifluoromethylsulfonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 157888577

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 159394559) is (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is CC(C)NC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CCNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.CNC(=O)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NC1CCCC1)N1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(NCC(F)(F)F)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)N2CCCC2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is LMNWPZPRCGUJRP-XXGHPQCASA-N. The full InChI is InChI=1S/C30H37F2N7O3.C29H35F2N7O3.C28H35F2N7O3.C27H30F5N7O3.C27H33F2N7O3.C26H31F2N7O3/c31-24-8-3-7-23(26(24)32)19-10-11-21(18-38(17-19)29(41)34-20-5-1-2-6-20)35-28(40)37-15-12-22(13-16-37)39-25-9-4-14-33-27(25)36-30(39)42;30-23-6-3-5-22(25(23)31)19-8-9-20(18-37(17-19)29(41)36-13-1-2-14-36)33-27(39)35-15-10-21(11-16-35)38-24-7-4-12-32-26(24)34-28(38)40;1-17(2)32-26(38)36-15-18(21-5-3-6-22(29)24(21)30)8-9-19(16-36)33-27(39)35-13-10-20(11-14-35)37-23-7-4-12-31-25(23)34-28(37)40;28-20-4-1-3-19(22(20)29)16-6-7-17(14-38(13-16)24(40)34-15-27(30,31)32)35-25(41)37-11-8-18(9-12-37)39-21-5-2-10-33-23(21)36-26(39)42;1-2-30-25(37)35-15-17(20-5-3-6-21(28)23(20)29)8-9-18(16-35)32-26(38)34-13-10-19(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-29-24(36)34-14-16(19-4-2-5-20(27)22(19)28)7-8-17(15-34)31-25(37)33-12-9-18(10-13-33)35-21-6-3-11-30-23(21)32-26(35)38/h3-4,7-9,14,19-22H,1-2,5-6,10-13,15-18H2,(H,34,41)(H,35,40)(H,33,36,42);3-7,12,19-21H,1-2,8-11,13-18H2,(H,33,39)(H,32,34,40);3-7,12,17-20H,8-11,13-16H2,1-2H3,(H,32,38)(H,33,39)(H,31,34,40);1-5,10,16-18H,6-9,11-15H2,(H,34,40)(H,35,41)(H,33,36,42);3-7,12,17-19H,2,8-11,13-16H2,1H3,(H,30,37)(H,32,38)(H,31,33,39);2-6,11,16-18H,7-10,12-15H2,1H3,(H,29,36)(H,31,37)(H,30,32,38)/t19-,21-;19-,20-;18-,19-;16-,17-;17-,18-;16-,17-/m111111/s1.
What are the key properties of (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
(3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 3369.69 g/mol, XLogP of 21.91, 22 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-cyclopentyl-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-ethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N-methyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-propan-2-ylazepane-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-N-(2,2,2-trifluoroethyl)azepane-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 159394559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).