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

C133H157N31O18 — CID 161152221

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-[(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](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.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;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);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;16?,19-/m11111/s1
InChIKeyUOVIADXXHXFLLX-INQVGPNVSA-N
MW2477.92 g/mol
LogP12.51
Rot. Bonds24

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-[(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-[(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 161152221) has the molecular formula C133H157N31O18 and a molecular weight of 2477.92 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-[(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-[(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 CID161152221
Molecular FormulaC133H157N31O18
Molecular Weight2477.92 g/mol
Exact Mass2476.23
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-[(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](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.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;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);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;16?,19-/m11111/s1
InChIKeyUOVIADXXHXFLLX-INQVGPNVSA-N
XLogP12.51
TPSA577.02 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002477.92
LogP ≤ 512.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

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-[(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-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-[(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
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
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-[(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-[(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) 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-[(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-[(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-[(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](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-[(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 UOVIADXXHXFLLX-INQVGPNVSA-N. The full InChI is InChI=1S/C28H32N6O3.C27H31N7O3.C27H32N6O4.C27H34N6O4.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;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);1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t23-;22-;21-,23-;20-,22-;16?,19-/m11111/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-[(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-[(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 2477.92 g/mol, XLogP of 12.51, 24 rotatable bonds, 12 hydrogen bond donors, and 29 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-[(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 161152221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).