N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C158H182F5N37O22 — CID 160590941

IUPACN-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1C[C@H](c2ccccc2)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.O=C(N[C@@H]1CC=C(c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC=C(c2ccncc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C1NCC(c2ccc(O)cc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C28H32N6O3.C27H31N7O3.C27H32N6O4.C27H34N6O4.C25H25F5N6O4.C24H28N6O4/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37;35-25-22(6-5-20(19-7-12-28-13-8-19)17-33(25)16-18-3-4-18)30-26(36)32-14-9-21(10-15-32)34-23-2-1-11-29-24(23)31-27(34)37;34-25-21(17-37-23(19-5-2-1-3-6-19)16-32(25)15-18-8-9-18)29-26(35)31-13-10-20(11-14-31)33-22-7-4-12-28-24(22)30-27(33)36;1-37-17-16-32-18-20(19-6-3-2-4-7-19)9-10-22(25(32)34)29-26(35)31-14-11-21(12-15-31)33-23-8-5-13-28-24(23)30-27(33)36;26-16-4-1-3-15(20(16)27)19-11-35(13-25(28,29)30)22(37)17(12-40-19)32-23(38)34-9-6-14(7-10-34)36-18-5-2-8-31-21(18)33-24(36)39;31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-7,10,14,19,22-23H,8-9,11-13,15-18H2,(H,30,36)(H,29,31,37);1-2,5,7-8,11-13,18,21-22H,3-4,6,9-10,14-17H2,(H,30,36)(H,29,31,37);1-7,12,18,20-21,23H,8-11,13-17H2,(H,29,35)(H,28,30,36);2-8,13,20-22H,9-12,14-18H2,1H3,(H,29,35)(H,28,30,36);1-5,8,14,17,19H,6-7,9-13H2,(H,32,38)(H,31,33,39);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;17-,19-;16?,19-/m111111/s1
InChIKeyRCZRTNUEEDUJLE-SRDCPGMXSA-N
MW3046.42 g/mol
LogP15.39
Rot. Bonds28

About N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 160590941) has the molecular formula C158H182F5N37O22 and a molecular weight of 3046.42 g/mol. Its IUPAC name is N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID160590941
Molecular FormulaC158H182F5N37O22
Molecular Weight3046.42 g/mol
Exact Mass3044.42
IUPAC NameN-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1C[C@H](c2ccccc2)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.O=C(N[C@@H]1CC=C(c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC=C(c2ccncc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C1NCC(c2ccc(O)cc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C28H32N6O3.C27H31N7O3.C27H32N6O4.C27H34N6O4.C25H25F5N6O4.C24H28N6O4/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37;35-25-22(6-5-20(19-7-12-28-13-8-19)17-33(25)16-18-3-4-18)30-26(36)32-14-9-21(10-15-32)34-23-2-1-11-29-24(23)31-27(34)37;34-25-21(17-37-23(19-5-2-1-3-6-19)16-32(25)15-18-8-9-18)29-26(35)31-13-10-20(11-14-31)33-22-7-4-12-28-24(22)30-27(33)36;1-37-17-16-32-18-20(19-6-3-2-4-7-19)9-10-22(25(32)34)29-26(35)31-14-11-21(12-15-31)33-23-8-5-13-28-24(23)30-27(33)36;26-16-4-1-3-15(20(16)27)19-11-35(13-25(28,29)30)22(37)17(12-40-19)32-23(38)34-9-6-14(7-10-34)36-18-5-2-8-31-21(18)33-24(36)39;31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-7,10,14,19,22-23H,8-9,11-13,15-18H2,(H,30,36)(H,29,31,37);1-2,5,7-8,11-13,18,21-22H,3-4,6,9-10,14-17H2,(H,30,36)(H,29,31,37);1-7,12,18,20-21,23H,8-11,13-17H2,(H,29,35)(H,28,30,36);2-8,13,20-22H,9-12,14-18H2,1H3,(H,29,35)(H,28,30,36);1-5,8,14,17,19H,6-7,9-13H2,(H,32,38)(H,31,33,39);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;17-,19-;16?,19-/m111111/s1
InChIKeyRCZRTNUEEDUJLE-SRDCPGMXSA-N
XLogP15.39
TPSA689.58 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003046.42
LogP ≤ 515.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-4-(6-fluoro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 158303756
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)-2-oxoazepan-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-methylsulfinylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[(3S,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;1-[1-[2-[(3S,6R)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 158809304
N-cyano-N'-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboximidamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-4-(6-fluoro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 160923043
N-cyano-N'-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboximidamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-7-(hydroxymethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-[(2,3-difluorophenyl)methyl]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 161344763
N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 158527545
N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 161152221
benzyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;(3S,6R)-3-(2,3-difluorophenyl)-N,N-dimethyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide;methyl 2-[(3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepan-1-yl]acetate;propan-2-yl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate
CID 162031094

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 160590941) is N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCN1C[C@H](c2ccccc2)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.O=C(N[C@@H]1CC=C(c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC=C(c2ccncc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CO[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C1NCC(c2ccc(O)cc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is RCZRTNUEEDUJLE-SRDCPGMXSA-N. The full InChI is InChI=1S/C28H32N6O3.C27H31N7O3.C27H32N6O4.C27H34N6O4.C25H25F5N6O4.C24H28N6O4/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37;35-25-22(6-5-20(19-7-12-28-13-8-19)17-33(25)16-18-3-4-18)30-26(36)32-14-9-21(10-15-32)34-23-2-1-11-29-24(23)31-27(34)37;34-25-21(17-37-23(19-5-2-1-3-6-19)16-32(25)15-18-8-9-18)29-26(35)31-13-10-20(11-14-31)33-22-7-4-12-28-24(22)30-27(33)36;1-37-17-16-32-18-20(19-6-3-2-4-7-19)9-10-22(25(32)34)29-26(35)31-14-11-21(12-15-31)33-23-8-5-13-28-24(23)30-27(33)36;26-16-4-1-3-15(20(16)27)19-11-35(13-25(28,29)30)22(37)17(12-40-19)32-23(38)34-9-6-14(7-10-34)36-18-5-2-8-31-21(18)33-24(36)39;31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-7,10,14,19,22-23H,8-9,11-13,15-18H2,(H,30,36)(H,29,31,37);1-2,5,7-8,11-13,18,21-22H,3-4,6,9-10,14-17H2,(H,30,36)(H,29,31,37);1-7,12,18,20-21,23H,8-11,13-17H2,(H,29,35)(H,28,30,36);2-8,13,20-22H,9-12,14-18H2,1H3,(H,29,35)(H,28,30,36);1-5,8,14,17,19H,6-7,9-13H2,(H,32,38)(H,31,33,39);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;17-,19-;16?,19-/m111111/s1.
What are the key properties of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 3046.42 g/mol, XLogP of 15.39, 28 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 160590941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).