N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide

C143H210F4N24O17 — CID 167681563

IUPACN-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C(C)(C)O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C36H53FN6O5.2C36H53FN6O4.C35H51FN6O4/c1-7-31(45)39-32(35(47)41-17-19-42(20-18-41)36(5,6)48)24(4)26-13-14-27(28(37)21-26)22-30(44)33(25-11-9-23(3)10-12-25)40-34(46)29-15-16-38-43(29)8-2;2*1-7-32(45)39-33(36(47)42-19-18-41(8-2)24(5)22-42)25(6)27-14-15-28(29(37)20-27)21-31(44)34(26-12-10-23(4)11-13-26)40-35(46)30-16-17-38-43(30)9-3;1-7-31(44)39-32(35(46)41-19-22(4)38-23(5)20-41)24(6)26-13-14-27(28(36)17-26)18-30(43)33(25-11-9-21(3)10-12-25)40-34(45)29-15-16-37-42(29)8-2/h13-16,21,23-25,32-33,48H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);2*14-17,20,23-26,33-34H,7-13,18-19,21-22H2,1-6H3,(H,39,45)(H,40,46);13-17,21-25,32-33,38H,7-12,18-20H2,1-6H3,(H,39,44)(H,40,45)/t23?,24-,25?,32+,33-;23?,24-,25+,26?,33-,34+;23?,24-,25-,26?,33+,34-;21?,22-,23+,24-,25?,32+,33-/m0100/s1
InChIKeyVPSODORWFIGWTO-RIPNSTLBSA-N
MW2613.40 g/mol
LogP16.29
Rot. Bonds51

About N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide

N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide (PubChem CID 167681563) has the molecular formula C143H210F4N24O17 and a molecular weight of 2613.40 g/mol. Its IUPAC name is N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
PubChem CID167681563
Molecular FormulaC143H210F4N24O17
Molecular Weight2613.40 g/mol
Exact Mass2611.62
IUPAC NameN-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C(C)(C)O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C36H53FN6O5.2C36H53FN6O4.C35H51FN6O4/c1-7-31(45)39-32(35(47)41-17-19-42(20-18-41)36(5,6)48)24(4)26-13-14-27(28(37)21-26)22-30(44)33(25-11-9-23(3)10-12-25)40-34(46)29-15-16-38-43(29)8-2;2*1-7-32(45)39-33(36(47)42-19-18-41(8-2)24(5)22-42)25(6)27-14-15-28(29(37)20-27)21-31(44)34(26-12-10-23(4)11-13-26)40-35(46)30-16-17-38-43(30)9-3;1-7-31(44)39-32(35(46)41-19-22(4)38-23(5)20-41)24(6)26-13-14-27(28(36)17-26)18-30(43)33(25-11-9-21(3)10-12-25)40-34(45)29-15-16-37-42(29)8-2/h13-16,21,23-25,32-33,48H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);2*14-17,20,23-26,33-34H,7-13,18-19,21-22H2,1-6H3,(H,39,45)(H,40,46);13-17,21-25,32-33,38H,7-12,18-20H2,1-6H3,(H,39,44)(H,40,45)/t23?,24-,25?,32+,33-;23?,24-,25+,26?,33-,34+;23?,24-,25-,26?,33+,34-;21?,22-,23+,24-,25?,32+,33-/m0100/s1
InChIKeyVPSODORWFIGWTO-RIPNSTLBSA-N
XLogP16.29
TPSA495.58 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002613.40
LogP ≤ 516.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-[4-[5-(3-carbamoyl-4-fluorophenyl)-6-[2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]pyridin-3-yl]-3,5-difluorophenyl]-1-[[2-[3-(methyliminomethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 135215725
N-[(2R)-2-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-2-[[2-(1-methylpiperidin-4-yl)pyrazole-3-carbonyl]amino]-3-oxopropyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 154677364
2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[[2-(1-methylpiperidin-4-yl)pyrazole-3-carbonyl]amino]-4-oxobutan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrazole-3-carboxamide
CID 156229763
N-[(2R,3S)-3-[4-[[2-(2-ethylpyrazole-3-carbonyl)imino-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 156707731
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157076869
(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157206651
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
N-[(1S)-4-[4-[(2R)-3-(4-benzylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4,4-difluorocyclohexyl)-2-oxobutyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 157663259
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488
5-[2-[(1S)-1-[[2-[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-phenylpyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158183244
(2S)-5-(3-cyanophenyl)-2-cyclopentyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;5-(3-cyanophenyl)-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]pentanamide;4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide;N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]-4-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 158208899
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 158267899

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide (CID 167681563) is N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C(C)(C)O)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.
What is the InChIKey of N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is VPSODORWFIGWTO-RIPNSTLBSA-N. The full InChI is InChI=1S/C36H53FN6O5.2C36H53FN6O4.C35H51FN6O4/c1-7-31(45)39-32(35(47)41-17-19-42(20-18-41)36(5,6)48)24(4)26-13-14-27(28(37)21-26)22-30(44)33(25-11-9-23(3)10-12-25)40-34(46)29-15-16-38-43(29)8-2;2*1-7-32(45)39-33(36(47)42-19-18-41(8-2)24(5)22-42)25(6)27-14-15-28(29(37)20-27)21-31(44)34(26-12-10-23(4)11-13-26)40-35(46)30-16-17-38-43(30)9-3;1-7-31(44)39-32(35(46)41-19-22(4)38-23(5)20-41)24(6)26-13-14-27(28(36)17-26)18-30(43)33(25-11-9-21(3)10-12-25)40-34(45)29-15-16-37-42(29)8-2/h13-16,21,23-25,32-33,48H,7-12,17-20,22H2,1-6H3,(H,39,45)(H,40,46);2*14-17,20,23-26,33-34H,7-13,18-19,21-22H2,1-6H3,(H,39,45)(H,40,46);13-17,21-25,32-33,38H,7-12,18-20H2,1-6H3,(H,39,44)(H,40,45)/t23?,24-,25?,32+,33-;23?,24-,25+,26?,33-,34+;23?,24-,25-,26?,33+,34-;21?,22-,23+,24-,25?,32+,33-/m0100/s1.
What are the key properties of N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide?
N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 2613.40 g/mol, XLogP of 16.29, 51 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[4-[(2S,3R)-4-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-[4-(2-hydroxypropan-2-yl)piperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167681563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).