N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide

C129H149F15N34O16 — CID 159495852

IUPACN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3nccnc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1
InChIInChI=1S/C28H34F2N6O4.C26H33F2N7O3.C25H26F5N7O3.2C25H28F3N7O3/c1-28(2,40)16-35-15-17(19-5-3-6-20(29)23(19)30)8-9-21(25(35)37)32-26(38)34-13-10-18(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-38-14-13-33-15-17(20-3-2-4-21(27)23(20)28)5-6-18(16-33)30-25(36)34-11-8-19(9-12-34)35-22-7-10-29-32-24(22)31-26(35)37;26-17-3-1-2-16(20(17)27)14-4-5-18(22(38)36(11-14)12-25(28,29)30)33-23(39)35-8-6-15(7-9-35)37-19-10-31-13-32-21(19)34-24(37)40;26-25(27,28)15-34-14-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-12-8-18(9-13-33)35-21-20(32-24(35)38)29-10-11-30-21;26-25(27,28)14-34-13-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-10-8-18(9-11-33)35-20-12-29-15-30-21(20)32-24(35)38/h3-7,12,17-18,21,40H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,39);2-4,7,10,17-19H,5-6,8-9,11-16H2,1H3,(H,30,36)(H,31,32,37);1-3,10,13-15,18H,4-9,11-12H2,(H,33,39)(H,31,32,34,40);1-5,10-11,17-19H,6-9,12-15H2,(H,31,37)(H,29,32,38);1-5,12,15,17-19H,6-11,13-14H2,(H,31,37)(H,29,30,32,38)/t17-,21-;17-,18-;14-,18-;2*17-,19-/m11111/s1
InChIKeyLYTRILKLBWAFCD-ZITXPNITSA-N
MW2716.80 g/mol
LogP14.22
Rot. Bonds23

About N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide (PubChem CID 159495852) has the molecular formula C129H149F15N34O16 and a molecular weight of 2716.80 g/mol. Its IUPAC name is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide
PubChem CID159495852
Molecular FormulaC129H149F15N34O16
Molecular Weight2716.80 g/mol
Exact Mass2715.17
IUPAC NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3nccnc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1
InChIInChI=1S/C28H34F2N6O4.C26H33F2N7O3.C25H26F5N7O3.2C25H28F3N7O3/c1-28(2,40)16-35-15-17(19-5-3-6-20(29)23(19)30)8-9-21(25(35)37)32-26(38)34-13-10-18(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-38-14-13-33-15-17(20-3-2-4-21(27)23(20)28)5-6-18(16-33)30-25(36)34-11-8-19(9-12-34)35-22-7-10-29-32-24(22)31-26(35)37;26-17-3-1-2-16(20(17)27)14-4-5-18(22(38)36(11-14)12-25(28,29)30)33-23(39)35-8-6-15(7-9-35)37-19-10-31-13-32-21(19)34-24(37)40;26-25(27,28)15-34-14-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-12-8-18(9-13-33)35-21-20(32-24(35)38)29-10-11-30-21;26-25(27,28)14-34-13-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-10-8-18(9-11-33)35-20-12-29-15-30-21(20)32-24(35)38/h3-7,12,17-18,21,40H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,39);2-4,7,10,17-19H,5-6,8-9,11-16H2,1H3,(H,30,36)(H,31,32,37);1-3,10,13-15,18H,4-9,11-12H2,(H,33,39)(H,31,32,34,40);1-5,10-11,17-19H,6-9,12-15H2,(H,31,37)(H,29,32,38);1-5,12,15,17-19H,6-11,13-14H2,(H,31,37)(H,29,30,32,38)/t17-,21-;17-,18-;14-,18-;2*17-,19-/m11111/s1
InChIKeyLYTRILKLBWAFCD-ZITXPNITSA-N
XLogP14.22
TPSA580.60 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002716.80
LogP ≤ 514.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(9S)-5-(1-cyclopropylpyrazol-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-6-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157217832
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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)-2-oxo-1-pyridin-4-ylazepan-3-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-(1,3-thiazol-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)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide
CID 157243220
tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide
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(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
CID 157350882
CID 157350882
1-[3-[2-[[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridin-4-ylethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[9-[3-(trifluoromethyl)cyclobutanecarbonyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-[4-(oxan-4-yl)piperazin-1-yl]-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 157359409
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
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tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
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2-[4-[[8-(8-Benzoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[2-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;2-[3-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;4,4,4-trifluoro-2,2-dimethyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 157775313
1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;tert-butyl 2-(4-aminopyrazol-1-yl)acetate;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl nitrite;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4,4,4-trifluorobutanoic acid;4,4,4-trifluoro-1-[4-(2-iodo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one;hydrochloride
CID 158042310
2-[4-[[8-[8-(3,3-Difluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(2,2,2-trifluoroethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-morpholin-4-ylpiperidin-1-yl)-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-2-methyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 158152451
1-(4-Methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethyl)cyclopropanecarbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;3,3,3-trifluoro-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-(oxan-4-yl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 158236471

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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide (CID 159495852) is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide is CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.COCCN1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)CC[C@@H](c2cccc(F)c2F)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3nccnc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncncc32)CC1.
What is the InChIKey of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide?
The InChIKey is LYTRILKLBWAFCD-ZITXPNITSA-N. The full InChI is InChI=1S/C28H34F2N6O4.C26H33F2N7O3.C25H26F5N7O3.2C25H28F3N7O3/c1-28(2,40)16-35-15-17(19-5-3-6-20(29)23(19)30)8-9-21(25(35)37)32-26(38)34-13-10-18(11-14-34)36-22-7-4-12-31-24(22)33-27(36)39;1-38-14-13-33-15-17(20-3-2-4-21(27)23(20)28)5-6-18(16-33)30-25(36)34-11-8-19(9-12-34)35-22-7-10-29-32-24(22)31-26(35)37;26-17-3-1-2-16(20(17)27)14-4-5-18(22(38)36(11-14)12-25(28,29)30)33-23(39)35-8-6-15(7-9-35)37-19-10-31-13-32-21(19)34-24(37)40;26-25(27,28)15-34-14-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-12-8-18(9-13-33)35-21-20(32-24(35)38)29-10-11-30-21;26-25(27,28)14-34-13-17(16-4-2-1-3-5-16)6-7-19(22(34)36)31-23(37)33-10-8-18(9-11-33)35-20-12-29-15-30-21(20)32-24(35)38/h3-7,12,17-18,21,40H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,39);2-4,7,10,17-19H,5-6,8-9,11-16H2,1H3,(H,30,36)(H,31,32,37);1-3,10,13-15,18H,4-9,11-12H2,(H,33,39)(H,31,32,34,40);1-5,10-11,17-19H,6-9,12-15H2,(H,31,37)(H,29,32,38);1-5,12,15,17-19H,6-11,13-14H2,(H,31,37)(H,29,30,32,38)/t17-,21-;17-,18-;14-,18-;2*17-,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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide?
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-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-methoxyethyl)azepan-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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide has a molecular weight of 2716.80 g/mol, XLogP of 14.22, 23 rotatable bonds, 11 hydrogen bond donors, and 31 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-(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-(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-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide;N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 159495852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).