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

C139H170F14N30O17 — CID 158303756

IUPACN-[(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
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncc(F)cc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C28H33F3N6O4.3C28H36F2N6O3.C27H29F5N6O4/c1-28(2,41)15-36-14-16(19-4-3-5-20(30)23(19)31)6-7-21(25(36)38)33-26(39)35-10-8-18(9-11-35)37-22-12-17(29)13-32-24(22)34-27(37)40;1-39-15-14-34-16-19(23-5-2-6-24(29)25(23)30)7-8-21(18-34)32-27(37)35-12-9-22(10-13-35)36-17-20-4-3-11-31-26(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-15-31-10-7-25(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-7-10-31-15-25(20)33-28(36)38;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32/h3-5,12-13,16,18,21,41H,6-11,14-15H2,1-2H3,(H,33,39)(H,32,34,40);2-6,11,19,21-22H,7-10,12-18H2,1H3,(H,32,37)(H,31,33,38);2*2-4,7,10,15,19,21-22H,5-6,8-9,11-14,16-18H2,1H3,(H,32,37)(H,33,38);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41)/t16-,21-;3*19-,21-;15-,19-/m11111/s1
InChIKeyGMUYSVWPJWNYTB-LRGOUILMSA-N
MW2799.05 g/mol
LogP18.06
Rot. Bonds28

About 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

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 (PubChem CID 158303756) has the molecular formula C139H170F14N30O17 and a molecular weight of 2799.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158303756
Molecular FormulaC139H170F14N30O17
Molecular Weight2799.05 g/mol
Exact Mass2797.31
IUPAC NameN-[(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
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncc(F)cc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C28H33F3N6O4.3C28H36F2N6O3.C27H29F5N6O4/c1-28(2,41)15-36-14-16(19-4-3-5-20(30)23(19)31)6-7-21(25(36)38)33-26(39)35-10-8-18(9-11-35)37-22-12-17(29)13-32-24(22)34-27(37)40;1-39-15-14-34-16-19(23-5-2-6-24(29)25(23)30)7-8-21(18-34)32-27(37)35-12-9-22(10-13-35)36-17-20-4-3-11-31-26(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-15-31-10-7-25(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-7-10-31-15-25(20)33-28(36)38;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32/h3-5,12-13,16,18,21,41H,6-11,14-15H2,1-2H3,(H,33,39)(H,32,34,40);2-6,11,19,21-22H,7-10,12-18H2,1H3,(H,32,37)(H,31,33,38);2*2-4,7,10,15,19,21-22H,5-6,8-9,11-14,16-18H2,1H3,(H,32,37)(H,33,38);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41)/t16-,21-;3*19-,21-;15-,19-/m11111/s1
InChIKeyGMUYSVWPJWNYTB-LRGOUILMSA-N
XLogP18.06
TPSA506.24 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002799.05
LogP ≤ 518.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-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)-2-oxoazepan-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)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-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 158971274
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncc(F)cc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COCCN1C[C@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)CC[C@@H](c2cccc(F)c2F)C1.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 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?
The InChIKey is GMUYSVWPJWNYTB-LRGOUILMSA-N. The full InChI is InChI=1S/C28H33F3N6O4.3C28H36F2N6O3.C27H29F5N6O4/c1-28(2,41)15-36-14-16(19-4-3-5-20(30)23(19)31)6-7-21(25(36)38)33-26(39)35-10-8-18(9-11-35)37-22-12-17(29)13-32-24(22)34-27(37)40;1-39-15-14-34-16-19(23-5-2-6-24(29)25(23)30)7-8-21(18-34)32-27(37)35-12-9-22(10-13-35)36-17-20-4-3-11-31-26(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-15-31-10-7-25(20)33-28(36)38;1-39-14-13-34-16-19(23-3-2-4-24(29)26(23)30)5-6-21(18-34)32-27(37)35-11-8-22(9-12-35)36-17-20-7-10-31-15-25(20)33-28(36)38;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32/h3-5,12-13,16,18,21,41H,6-11,14-15H2,1-2H3,(H,33,39)(H,32,34,40);2-6,11,19,21-22H,7-10,12-18H2,1H3,(H,32,37)(H,31,33,38);2*2-4,7,10,15,19,21-22H,5-6,8-9,11-14,16-18H2,1H3,(H,32,37)(H,33,38);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41)/t16-,21-;3*19-,21-;15-,19-/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 2799.05 g/mol, XLogP of 18.06, 28 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158303756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).