N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide

C113H107F8N21O9 — CID 167579498

IUPACN-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide
SMILESCC(C)n1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)CCc2ccc3c(N)nccc3c2)cn1.CN1CCN(c2cccc(C(=O)N[C@@H](Cc3ccc(F)c(F)c3)C(=O)CCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)NCc2ccc3c(N)nccc3c2)c(C)o1.Nc1nccc2cc(CNC(=O)[C@H](Cc3ccc(F)c(F)c3)NC(=O)c3cccc(-n4ccnc4)c3)ccc12
InChIInChI=1S/C32H33F2N5O2.C29H24F2N6O2.C27H27F2N5O2.C25H23F2N5O3/c1-38-13-15-39(16-14-38)25-4-2-3-24(20-25)32(41)37-29(19-22-6-9-27(33)28(34)18-22)30(40)10-7-21-5-8-26-23(17-21)11-12-36-31(26)35;30-24-7-5-18(13-25(24)31)14-26(36-28(38)21-2-1-3-22(15-21)37-11-10-33-17-37)29(39)35-16-19-4-6-23-20(12-19)8-9-34-27(23)32;1-16(2)34-15-20(14-32-34)27(36)33-24(13-18-4-7-22(28)23(29)12-18)25(35)8-5-17-3-6-21-19(11-17)9-10-31-26(21)30;1-13-22(31-14(2)35-13)25(34)32-21(11-15-4-6-19(26)20(27)10-15)24(33)30-12-16-3-5-18-17(9-16)7-8-29-23(18)28/h2-6,8-9,11-12,17-18,20,29H,7,10,13-16,19H2,1H3,(H2,35,36)(H,37,41);1-13,15,17,26H,14,16H2,(H2,32,34)(H,35,39)(H,36,38);3-4,6-7,9-12,14-16,24H,5,8,13H2,1-2H3,(H2,30,31)(H,33,36);3-10,21H,11-12H2,1-2H3,(H2,28,29)(H,30,33)(H,32,34)/t29-;26-;24-;21-/m0000/s1
InChIKeyGZICNIXTISMACV-BEIYAPABSA-N
MW2055.22 g/mol
LogP16.10
Rot. Bonds33

About N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide

N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide (PubChem CID 167579498) has the molecular formula C113H107F8N21O9 and a molecular weight of 2055.22 g/mol. Its IUPAC name is N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide
PubChem CID167579498
Molecular FormulaC113H107F8N21O9
Molecular Weight2055.22 g/mol
Exact Mass2053.84
IUPAC NameN-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide
SMILESCC(C)n1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)CCc2ccc3c(N)nccc3c2)cn1.CN1CCN(c2cccc(C(=O)N[C@@H](Cc3ccc(F)c(F)c3)C(=O)CCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)NCc2ccc3c(N)nccc3c2)c(C)o1.Nc1nccc2cc(CNC(=O)[C@H](Cc3ccc(F)c(F)c3)NC(=O)c3cccc(-n4ccnc4)c3)ccc12
InChIInChI=1S/C32H33F2N5O2.C29H24F2N6O2.C27H27F2N5O2.C25H23F2N5O3/c1-38-13-15-39(16-14-38)25-4-2-3-24(20-25)32(41)37-29(19-22-6-9-27(33)28(34)18-22)30(40)10-7-21-5-8-26-23(17-21)11-12-36-31(26)35;30-24-7-5-18(13-25(24)31)14-26(36-28(38)21-2-1-3-22(15-21)37-11-10-33-17-37)29(39)35-16-19-4-6-23-20(12-19)8-9-34-27(23)32;1-16(2)34-15-20(14-32-34)27(36)33-24(13-18-4-7-22(28)23(29)12-18)25(35)8-5-17-3-6-21-19(11-17)9-10-31-26(21)30;1-13-22(31-14(2)35-13)25(34)32-21(11-15-4-6-19(26)20(27)10-15)24(33)30-12-16-3-5-18-17(9-16)7-8-29-23(18)28/h2-6,8-9,11-12,17-18,20,29H,7,10,13-16,19H2,1H3,(H2,35,36)(H,37,41);1-13,15,17,26H,14,16H2,(H2,32,34)(H,35,39)(H,36,38);3-4,6-7,9-12,14-16,24H,5,8,13H2,1-2H3,(H2,30,31)(H,33,36);3-10,21H,11-12H2,1-2H3,(H2,28,29)(H,30,33)(H,32,34)/t29-;26-;24-;21-/m0000/s1
InChIKeyGZICNIXTISMACV-BEIYAPABSA-N
XLogP16.10
TPSA432.53 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.22
LogP ≤ 516.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide with MolForge

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Related Compounds

[(3R)-3-[[5-[4-[(3R)-3-[[3-[3-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carbonyl]-1-methylpyrazol-4-yl]-4-pyridinyl]methyl]-5,5-difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carbonyl]-2-methyl-1,3-oxazol-5-yl]-3-pyridinyl]methyl]-5,5-difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone
CID 130342076
6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
CID 163558772
5-[2-Fluoro-5-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[2-fluoro-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;1-methyl-7-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-5,6-dihydropyrazolo[5,4-f][1,4]oxazepin-8-one
CID 167566663
5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167581515
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-methyl-1-propylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-methylimidazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]pyrimidine-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167616788
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone;2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone;1-(7-fluoro-6-pyridin-3-ylisoquinolin-3-yl)-3-piperidin-1-ylpropan-2-one;2-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(2-piperidin-4-yl-1,3-oxazol-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone
CID 159655171
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-methylpyrazole-4-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-morpholin-4-ylbenzamide;(2R)-N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-pyrazol-1-ylbenzamide
CID 167609181
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(1-methyl-6-oxo-3-pyridinyl)-4-oxobutanamide
CID 167674050

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide?
The IUPAC name of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide (CID 167579498) is N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide is CC(C)n1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)CCc2ccc3c(N)nccc3c2)cn1.CN1CCN(c2cccc(C(=O)N[C@@H](Cc3ccc(F)c(F)c3)C(=O)CCc3ccc4c(N)nccc4c3)c2)CC1.Cc1nc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)NCc2ccc3c(N)nccc3c2)c(C)o1.Nc1nccc2cc(CNC(=O)[C@H](Cc3ccc(F)c(F)c3)NC(=O)c3cccc(-n4ccnc4)c3)ccc12.
What is the InChIKey of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide?
The InChIKey is GZICNIXTISMACV-BEIYAPABSA-N. The full InChI is InChI=1S/C32H33F2N5O2.C29H24F2N6O2.C27H27F2N5O2.C25H23F2N5O3/c1-38-13-15-39(16-14-38)25-4-2-3-24(20-25)32(41)37-29(19-22-6-9-27(33)28(34)18-22)30(40)10-7-21-5-8-26-23(17-21)11-12-36-31(26)35;30-24-7-5-18(13-25(24)31)14-26(36-28(38)21-2-1-3-22(15-21)37-11-10-33-17-37)29(39)35-16-19-4-6-23-20(12-19)8-9-34-27(23)32;1-16(2)34-15-20(14-32-34)27(36)33-24(13-18-4-7-22(28)23(29)12-18)25(35)8-5-17-3-6-21-19(11-17)9-10-31-26(21)30;1-13-22(31-14(2)35-13)25(34)32-21(11-15-4-6-19(26)20(27)10-15)24(33)30-12-16-3-5-18-17(9-16)7-8-29-23(18)28/h2-6,8-9,11-12,17-18,20,29H,7,10,13-16,19H2,1H3,(H2,35,36)(H,37,41);1-13,15,17,26H,14,16H2,(H2,32,34)(H,35,39)(H,36,38);3-4,6-7,9-12,14-16,24H,5,8,13H2,1-2H3,(H2,30,31)(H,33,36);3-10,21H,11-12H2,1-2H3,(H2,28,29)(H,30,33)(H,32,34)/t29-;26-;24-;21-/m0000/s1.
What are the key properties of N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide?
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide has a molecular weight of 2055.22 g/mol, XLogP of 16.10, 33 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 167579498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).