(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide

C108H143F3N24O12 — CID 160881241

IUPAC(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
SMILESCC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1cn(C)cn1)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N(C)C)c2)[C@H]1C(=O)N(C)c1ccnn1C)c1ccccc1.Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1
InChIInChI=1S/C28H34N6O3.2C27H38N6O3.C26H33F3N6O3/c1-6-20(21-10-8-7-9-11-21)18-25(35)34-26(28(37)32(4)24-13-15-30-33(24)5)22(27(34)36)16-19-12-14-29-23(17-19)31(2)3;1-5-19(20-9-7-6-8-10-20)14-24(34)33-25(27(36)32(4)23-15-31(3)16-29-23)21(26(33)35)12-18-11-17(2)30-22(28)13-18;1-5-19(20-9-7-6-8-10-20)16-23(34)33-24(26(36)32(4)27-29-11-12-31(27)3)21(25(33)35)14-18-13-17(2)30-22(28)15-18;1-15-11-16(13-20(30)32-15)12-18-22(24(38)34(3)25-31-9-10-33(25)2)35(23(18)37)21(36)14-19(26(27,28)29)17-7-5-4-6-8-17/h7-15,17,20,22,26H,6,16,18H2,1-5H3;11,13,15-16,19-21,25H,5-10,12,14H2,1-4H3,(H2,28,30);11-13,15,19-21,24H,5-10,14,16H2,1-4H3,(H2,28,30);9-11,13,17-19,22H,4-8,12,14H2,1-3H3,(H2,30,32)/t20-,22+,26-;19-,21+,25-;19-,21+,24-;18-,19+,22+/m0001/s1
InChIKeySNBBPSOVNVTWQY-NDSQUPCXSA-N
MW2026.48 g/mol
LogP12.96
Rot. Bonds32

About (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide (PubChem CID 160881241) has the molecular formula C108H143F3N24O12 and a molecular weight of 2026.48 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
PubChem CID160881241
Molecular FormulaC108H143F3N24O12
Molecular Weight2026.48 g/mol
Exact Mass2025.13
IUPAC Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
SMILESCC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1cn(C)cn1)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N(C)C)c2)[C@H]1C(=O)N(C)c1ccnn1C)c1ccccc1.Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1
InChIInChI=1S/C28H34N6O3.2C27H38N6O3.C26H33F3N6O3/c1-6-20(21-10-8-7-9-11-21)18-25(35)34-26(28(37)32(4)24-13-15-30-33(24)5)22(27(34)36)16-19-12-14-29-23(17-19)31(2)3;1-5-19(20-9-7-6-8-10-20)14-24(34)33-25(27(36)32(4)23-15-31(3)16-29-23)21(26(33)35)12-18-11-17(2)30-22(28)13-18;1-5-19(20-9-7-6-8-10-20)16-23(34)33-24(26(36)32(4)27-29-11-12-31(27)3)21(25(33)35)14-18-13-17(2)30-22(28)15-18;1-15-11-16(13-20(30)32-15)12-18-22(24(38)34(3)25-31-9-10-33(25)2)35(23(18)37)21(36)14-19(26(27,28)29)17-7-5-4-6-8-17/h7-15,17,20,22,26H,6,16,18H2,1-5H3;11,13,15-16,19-21,25H,5-10,12,14H2,1-4H3,(H2,28,30);11-13,15,19-21,24H,5-10,14,16H2,1-4H3,(H2,28,30);9-11,13,17-19,22H,4-8,12,14H2,1-3H3,(H2,30,32)/t20-,22+,26-;19-,21+,25-;19-,21+,24-;18-,19+,22+/m0001/s1
InChIKeySNBBPSOVNVTWQY-NDSQUPCXSA-N
XLogP12.96
TPSA434.90 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.48
LogP ≤ 512.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-[1-[[2-[(1R)-1-[[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-[methyl-(1-methylpyrazol-3-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]propyl]-4-fluorophenyl]methyl]pyrazol-3-yl]-1-N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 139402989
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-[5-[(3S)-3-[[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-[methyl-(1-methylimidazol-2-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]-3-(3-fluorophenyl)propyl]-1-methylimidazol-2-yl]-1-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 139403025
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-[5-[(2R)-2-[[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-[methyl-(1-methylimidazol-2-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]-2-(3-fluoro-2,4-dimethylphenyl)ethyl]-1-methylpyrazol-3-yl]-2-N-methyl-4-oxo-1-N-[(1R)-1-(3,4,5-trifluorophenyl)propyl]azetidine-1,2-dicarboxamide
CID 139403086
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156505555
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156506177
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156515748
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-[1-[(4R)-4-[[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-[methyl-(1-methylpyrazol-3-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]-4-(2,5-dimethylphenyl)butyl]pyrazol-3-yl]-1-N-[(1R)-1-(2-fluorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 156524553
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-[1-[(4R)-4-[[(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-[methyl-(1-methylpyrazol-3-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]-4-(2-fluoro-5-methylphenyl)butyl]pyrazol-3-yl]-1-N-[(1R)-1-(2,5-difluorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 156524563
7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-fluoro-6-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157090055
(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
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylheptanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-N-methyl-N-(1-methylimidazol-4-yl)-3-[[2-methyl-6-(methylamino)-4-pyridinyl]methyl]-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
CID 157561102
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-(2-methyltriazol-4-yl)pentan-3-one;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
CID 157705991

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide (CID 160881241) is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide is CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1cn(C)cn1)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)C1CCCCC1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N(C)C)c2)[C@H]1C(=O)N(C)c1ccnn1C)c1ccccc1.Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1.
What is the InChIKey of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?
The InChIKey is SNBBPSOVNVTWQY-NDSQUPCXSA-N. The full InChI is InChI=1S/C28H34N6O3.2C27H38N6O3.C26H33F3N6O3/c1-6-20(21-10-8-7-9-11-21)18-25(35)34-26(28(37)32(4)24-13-15-30-33(24)5)22(27(34)36)16-19-12-14-29-23(17-19)31(2)3;1-5-19(20-9-7-6-8-10-20)14-24(34)33-25(27(36)32(4)23-15-31(3)16-29-23)21(26(33)35)12-18-11-17(2)30-22(28)13-18;1-5-19(20-9-7-6-8-10-20)16-23(34)33-24(26(36)32(4)27-29-11-12-31(27)3)21(25(33)35)14-18-13-17(2)30-22(28)15-18;1-15-11-16(13-20(30)32-15)12-18-22(24(38)34(3)25-31-9-10-33(25)2)35(23(18)37)21(36)14-19(26(27,28)29)17-7-5-4-6-8-17/h7-15,17,20,22,26H,6,16,18H2,1-5H3;11,13,15-16,19-21,25H,5-10,12,14H2,1-4H3,(H2,28,30);11-13,15,19-21,24H,5-10,14,16H2,1-4H3,(H2,28,30);9-11,13,17-19,22H,4-8,12,14H2,1-3H3,(H2,30,32)/t20-,22+,26-;19-,21+,25-;19-,21+,24-;18-,19+,22+/m0001/s1.
What are the key properties of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide has a molecular weight of 2026.48 g/mol, XLogP of 12.96, 32 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide is sourced from PubChem (CID 160881241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).