(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one

C120H150N40O7 — CID 158431567

IUPAC(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
SMILESCCCC(C(C)=O)[C@H](Cc1ccc(-c2ccc(C3(O)CNC3)cc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc(N)nc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc3[nH]ncc3c2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNC2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNCC2)cn1)c1nn[nH]n1
InChIInChI=1S/C23H28N6O2.C21H23N7O.C20H26N8O.C19H23N7O.C19H26N6O.C18H24N6O/c1-3-4-20(15(2)30)21(22-26-28-29-27-22)11-19-10-7-17(12-25-19)16-5-8-18(9-6-16)23(31)13-24-14-23;1-3-4-18(13(2)29)19(21-25-27-28-26-21)10-17-7-5-15(11-22-17)14-6-8-20-16(9-14)12-23-24-20;1-5-6-16(13(2)29)17(19-24-26-27-25-19)9-14-7-8-18(21-10-14)15-11-22-20(23-12-15)28(3)4;1-3-4-16(12(2)27)17(19-23-25-26-24-19)9-15-7-5-13(10-21-15)14-6-8-18(20)22-11-14;1-3-4-17(13(2)26)18(19-22-24-25-23-19)11-16-6-5-15(12-21-16)14-7-9-20-10-8-14;1-3-4-15(12(2)25)16(18-21-23-24-22-18)9-13-5-6-17(20-10-13)14-7-8-19-11-14/h5-10,12,20-21,24,31H,3-4,11,13-14H2,1-2H3,(H,26,27,28,29);5-9,11-12,18-19H,3-4,10H2,1-2H3,(H,23,24)(H,25,26,27,28);7-8,10-12,16-17H,5-6,9H2,1-4H3,(H,24,25,26,27);5-8,10-11,16-17H,3-4,9H2,1-2H3,(H2,20,22)(H,23,24,25,26);5-7,12,17-18,20H,3-4,8-11H2,1-2H3,(H,22,23,24,25);5-7,10,15-16,19H,3-4,8-9,11H2,1-2H3,(H,21,22,23,24)/t20?,21-;18-,19+;2*16-,17+;17-,18+;15-,16+/m011111/s1
InChIKeyHBSILLUEWWXJRD-LTHINCAZSA-N
MW2264.79 g/mol
LogP15.09
Rot. Bonds50

About (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one

(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one (PubChem CID 158431567) has the molecular formula C120H150N40O7 and a molecular weight of 2264.79 g/mol. Its IUPAC name is (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
PubChem CID158431567
Molecular FormulaC120H150N40O7
Molecular Weight2264.79 g/mol
Exact Mass2263.26
IUPAC Name(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
SMILESCCCC(C(C)=O)[C@H](Cc1ccc(-c2ccc(C3(O)CNC3)cc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc(N)nc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc3[nH]ncc3c2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNC2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNCC2)cn1)c1nn[nH]n1
InChIInChI=1S/C23H28N6O2.C21H23N7O.C20H26N8O.C19H23N7O.C19H26N6O.C18H24N6O/c1-3-4-20(15(2)30)21(22-26-28-29-27-22)11-19-10-7-17(12-25-19)16-5-8-18(9-6-16)23(31)13-24-14-23;1-3-4-18(13(2)29)19(21-25-27-28-26-21)10-17-7-5-15(11-22-17)14-6-8-20-16(9-14)12-23-24-20;1-5-6-16(13(2)29)17(19-24-26-27-25-19)9-14-7-8-18(21-10-14)15-11-22-20(23-12-15)28(3)4;1-3-4-16(12(2)27)17(19-23-25-26-24-19)9-15-7-5-13(10-21-15)14-6-8-18(20)22-11-14;1-3-4-17(13(2)26)18(19-22-24-25-23-19)11-16-6-5-15(12-21-16)14-7-9-20-10-8-14;1-3-4-15(12(2)25)16(18-21-23-24-22-18)9-13-5-6-17(20-10-13)14-7-8-19-11-14/h5-10,12,20-21,24,31H,3-4,11,13-14H2,1-2H3,(H,26,27,28,29);5-9,11-12,18-19H,3-4,10H2,1-2H3,(H,23,24)(H,25,26,27,28);7-8,10-12,16-17H,5-6,9H2,1-4H3,(H,24,25,26,27);5-8,10-11,16-17H,3-4,9H2,1-2H3,(H2,20,22)(H,23,24,25,26);5-7,12,17-18,20H,3-4,8-11H2,1-2H3,(H,22,23,24,25);5-7,10,15-16,19H,3-4,8-9,11H2,1-2H3,(H,21,22,23,24)/t20?,21-;18-,19+;2*16-,17+;17-,18+;15-,16+/m011111/s1
InChIKeyHBSILLUEWWXJRD-LTHINCAZSA-N
XLogP15.09
TPSA659.45 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.79
LogP ≤ 515.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3H-indol-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(1H-pyrazol-4-yl)-3H-indol-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol
CID 158446942
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1H-pyrazol-4-yl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;1-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[6-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-2-pyridin-3-ylpropan-2-ol
CID 161299852
1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol
CID 158426692
4-[[5-Methyl-10-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylic acid;4-(5-methyl-10-naphthalen-2-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)cyclohexane-1-carboxylic acid;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]cyclohexane-1-carboxylic acid;4-[[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylic acid
CID 159976778
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-morpholin-4-ylpropan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 160970340
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-one;1-[3-(2-methyl-4-pyridinyl)-1H-pyrazol-5-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one
CID 163906028
3-ethyl-7-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-propan-2-yl-1H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)imidazole;1-(5-propan-2-yl-2-pyridinyl)cyclopropan-1-ol;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
CID 168409989

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one?
The IUPAC name of (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one (CID 158431567) is (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one.
What is the SMILES notation for (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one?
The canonical SMILES for (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one is CCCC(C(C)=O)[C@H](Cc1ccc(-c2ccc(C3(O)CNC3)cc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc(N)nc2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2ccc3[nH]ncc3c2)cn1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNC2)nc1)c1nn[nH]n1.CCC[C@H](C(C)=O)[C@H](Cc1ccc(C2=CCNCC2)cn1)c1nn[nH]n1.
What is the InChIKey of (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one?
The InChIKey is HBSILLUEWWXJRD-LTHINCAZSA-N. The full InChI is InChI=1S/C23H28N6O2.C21H23N7O.C20H26N8O.C19H23N7O.C19H26N6O.C18H24N6O/c1-3-4-20(15(2)30)21(22-26-28-29-27-22)11-19-10-7-17(12-25-19)16-5-8-18(9-6-16)23(31)13-24-14-23;1-3-4-18(13(2)29)19(21-25-27-28-26-21)10-17-7-5-15(11-22-17)14-6-8-20-16(9-14)12-23-24-20;1-5-6-16(13(2)29)17(19-24-26-27-25-19)9-14-7-8-18(21-10-14)15-11-22-20(23-12-15)28(3)4;1-3-4-16(12(2)27)17(19-23-25-26-24-19)9-15-7-5-13(10-21-15)14-6-8-18(20)22-11-14;1-3-4-17(13(2)26)18(19-22-24-25-23-19)11-16-6-5-15(12-21-16)14-7-9-20-10-8-14;1-3-4-15(12(2)25)16(18-21-23-24-22-18)9-13-5-6-17(20-10-13)14-7-8-19-11-14/h5-10,12,20-21,24,31H,3-4,11,13-14H2,1-2H3,(H,26,27,28,29);5-9,11-12,18-19H,3-4,10H2,1-2H3,(H,23,24)(H,25,26,27,28);7-8,10-12,16-17H,5-6,9H2,1-4H3,(H,24,25,26,27);5-8,10-11,16-17H,3-4,9H2,1-2H3,(H2,20,22)(H,23,24,25,26);5-7,12,17-18,20H,3-4,8-11H2,1-2H3,(H,22,23,24,25);5-7,10,15-16,19H,3-4,8-9,11H2,1-2H3,(H,21,22,23,24)/t20?,21-;18-,19+;2*16-,17+;17-,18+;15-,16+/m011111/s1.
What are the key properties of (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one?
(3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one has a molecular weight of 2264.79 g/mol, XLogP of 15.09, 50 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-[4-(3-hydroxyazetidin-3-yl)phenyl]-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1H-indazol-5-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one is sourced from PubChem (CID 158431567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).