1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C122H118N26O11S — CID 162116486

IUPAC1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1
InChIInChI=1S/C28H27N5O3.C27H25N5O2.C24H23N7O2S.C22H23N5O3.C21H20N4O/c1-35-26-9-5-21(16-31-26)20-4-8-24(30-15-20)14-25(34)28(10-12-36-13-11-28)23-6-2-19(3-7-23)22-17-32-27(29)33-18-22;1-34-24-11-20(13-29-17-24)19-5-8-23(30-14-19)12-25(33)27(9-2-10-27)22-6-3-18(4-7-22)21-15-31-26(28)32-16-21;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h2-9,15-18H,10-14H2,1H3,(H2,29,32,33);3-8,11,13-17H,2,9-10,12H2,1H3,(H2,28,31,32);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25)
InChIKeyZGVHCLZIBGXWRW-UHFFFAOYSA-N
MW2156.52 g/mol
LogP18.28
Rot. Bonds29

About 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 162116486) has the molecular formula C122H118N26O11S and a molecular weight of 2156.52 g/mol. Its IUPAC name is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID162116486
Molecular FormulaC122H118N26O11S
Molecular Weight2156.52 g/mol
Exact Mass2154.92
IUPAC Name1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1
InChIInChI=1S/C28H27N5O3.C27H25N5O2.C24H23N7O2S.C22H23N5O3.C21H20N4O/c1-35-26-9-5-21(16-31-26)20-4-8-24(30-15-20)14-25(34)28(10-12-36-13-11-28)23-6-2-19(3-7-23)22-17-32-27(29)33-18-22;1-34-24-11-20(13-29-17-24)19-5-8-23(30-14-19)12-25(33)27(9-2-10-27)22-6-3-18(4-7-22)21-15-31-26(28)32-16-21;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h2-9,15-18H,10-14H2,1H3,(H2,29,32,33);3-8,11,13-17H,2,9-10,12H2,1H3,(H2,28,31,32);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25)
InChIKeyZGVHCLZIBGXWRW-UHFFFAOYSA-N
XLogP18.28
TPSA539.80 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002156.52
LogP ≤ 518.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-cyano-6-methyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-ylcyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]oxane-4-carboxamide
CID 158175644
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-methyl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
CID 158682081
2-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 161146354
3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 123547844
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methoxy-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-methyl-2-oxo-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methylpyrazol-3-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-oxo-1H-pyridin-4-yl)cyclobutane-1-carboxamide
CID 157583277
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide;4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 157615769
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(5-amino-6-methylpyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 157877765
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
CID 158001755
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-ylcyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 158039546
4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine
CID 158366593
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 158513433
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
CID 158826594

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 162116486) is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is COc1ccc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1.
What is the InChIKey of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is ZGVHCLZIBGXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C27H25N5O2.C24H23N7O2S.C22H23N5O3.C21H20N4O/c1-35-26-9-5-21(16-31-26)20-4-8-24(30-15-20)14-25(34)28(10-12-36-13-11-28)23-6-2-19(3-7-23)22-17-32-27(29)33-18-22;1-34-24-11-20(13-29-17-24)19-5-8-23(30-14-19)12-25(33)27(9-2-10-27)22-6-3-18(4-7-22)21-15-31-26(28)32-16-21;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h2-9,15-18H,10-14H2,1H3,(H2,29,32,33);3-8,11,13-17H,2,9-10,12H2,1H3,(H2,28,31,32);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25).
What are the key properties of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 2156.52 g/mol, XLogP of 18.28, 29 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 162116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).