(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide

C103H126N24O12S — CID 159384789

IUPAC(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-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)c2)[C@H]1C(=O)N(C)c1cccs1)c1ccn(C)n1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)C1CCCCC1
InChIInChI=1S/2C27H32N6O3.C25H34N6O3.C24H28N6O3S/c1-5-19(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;1-16(18-7-5-4-6-8-18)13-22(32)31-23(25(34)30(3)21-10-12-29(2)28-21)19(24(31)33)14-17-9-11-27-20(26)15-17;1-4-16(18-8-10-28(2)27-18)14-20(31)30-22(24(33)29(3)21-6-5-11-34-21)17(23(30)32)12-15-7-9-26-19(25)13-15/h6-11,13,15-16,19,21,25H,5,12,14H2,1-4H3,(H2,28,30);6-13,15,19,21,24H,5,14,16H2,1-4H3,(H2,28,30);9-12,15-16,18-19,23H,4-8,13-14H2,1-3H3,(H2,26,27);5-11,13,16-17,22H,4,12,14H2,1-3H3,(H2,25,26)/t19-,21+,25-;19-,21+,24-;16-,19+,23-;16-,17+,22-/m0000/s1
InChIKeyLLIZLZPWDYZCRO-ITMKXBLDSA-N
MW1924.36 g/mol
LogP10.86
Rot. Bonds31

About (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide (PubChem CID 159384789) has the molecular formula C103H126N24O12S and a molecular weight of 1924.36 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide
PubChem CID159384789
Molecular FormulaC103H126N24O12S
Molecular Weight1924.36 g/mol
Exact Mass1922.97
IUPAC Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-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)c2)[C@H]1C(=O)N(C)c1cccs1)c1ccn(C)n1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)C1CCCCC1
InChIInChI=1S/2C27H32N6O3.C25H34N6O3.C24H28N6O3S/c1-5-19(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;1-16(18-7-5-4-6-8-18)13-22(32)31-23(25(34)30(3)21-10-12-29(2)28-21)19(24(31)33)14-17-9-11-27-20(26)15-17;1-4-16(18-8-10-28(2)27-18)14-20(31)30-22(24(33)29(3)21-6-5-11-34-21)17(23(30)32)12-15-7-9-26-19(25)13-15/h6-11,13,15-16,19,21,25H,5,12,14H2,1-4H3,(H2,28,30);6-13,15,19,21,24H,5,14,16H2,1-4H3,(H2,28,30);9-12,15-16,18-19,23H,4-8,13-14H2,1-3H3,(H2,26,27);5-11,13,16-17,22H,4,12,14H2,1-3H3,(H2,25,26)/t19-,21+,25-;19-,21+,24-;16-,19+,23-;16-,17+,22-/m0000/s1
InChIKeyLLIZLZPWDYZCRO-ITMKXBLDSA-N
XLogP10.86
TPSA457.68 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.36
LogP ≤ 510.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505508
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[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]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505704
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[6-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156506335
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[4,3-c]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;fluoromethane;molecular hydrogen
CID 156798404
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[4,3-c]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156798405
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[6-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;ethane;molecular hydrogen
CID 156798505
2-[2,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-3-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]acetamide
CID 157428486
(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-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 158632363
(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
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide
CID 160932242
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[4,3-b]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168793481

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide (CID 159384789) is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-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)c2)[C@H]1C(=O)N(C)c1cccs1)c1ccn(C)n1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)C1CCCCC1.
What is the InChIKey of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide?
The InChIKey is LLIZLZPWDYZCRO-ITMKXBLDSA-N. The full InChI is InChI=1S/2C27H32N6O3.C25H34N6O3.C24H28N6O3S/c1-5-19(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;1-16(18-7-5-4-6-8-18)13-22(32)31-23(25(34)30(3)21-10-12-29(2)28-21)19(24(31)33)14-17-9-11-27-20(26)15-17;1-4-16(18-8-10-28(2)27-18)14-20(31)30-22(24(33)29(3)21-6-5-11-34-21)17(23(30)32)12-15-7-9-26-19(25)13-15/h6-11,13,15-16,19,21,25H,5,12,14H2,1-4H3,(H2,28,30);6-13,15,19,21,24H,5,14,16H2,1-4H3,(H2,28,30);9-12,15-16,18-19,23H,4-8,13-14H2,1-3H3,(H2,26,27);5-11,13,16-17,22H,4,12,14H2,1-3H3,(H2,25,26)/t19-,21+,25-;19-,21+,24-;16-,19+,23-;16-,17+,22-/m0000/s1.
What are the key properties of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide?
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide has a molecular weight of 1924.36 g/mol, XLogP of 10.86, 31 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-1-[(3S)-3-(1-methylpyrazol-3-yl)pentanoyl]-4-oxo-N-thiophen-2-ylazetidine-2-carboxamide is sourced from PubChem (CID 159384789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).