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

C141H132N34O8S2 — CID 158039546

IUPAC2-[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
SMILESCC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5cccnc5)cs4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccncc5)cs4)CCC3)cc2)cn1
InChIInChI=1S/C30H27N5O3.C24H23N7O.2C23H20N6OS.C21H23N5O.C20H19N5O/c1-37-26-15-24(16-31-19-26)22-4-7-27(33-17-22)35-29(36)30(9-12-38-13-10-30)25-5-2-20(3-6-25)23-14-21-8-11-32-28(21)34-18-23;1-31-15-19(14-29-31)17-5-8-21(26-11-17)30-22(32)24(9-2-10-24)20-6-3-16(4-7-20)18-12-27-23(25)28-13-18;24-21-26-12-17(13-27-21)15-2-4-18(5-3-15)23(8-1-9-23)20(30)29-22-28-19(14-31-22)16-6-10-25-11-7-16;24-21-26-12-17(13-27-21)15-4-6-18(7-5-15)23(8-2-9-23)20(30)29-22-28-19(14-31-22)16-3-1-10-25-11-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h2-8,11,14-19H,9-10,12-13H2,1H3,(H,32,34)(H,33,35,36);3-8,11-15H,2,9-10H2,1H3,(H2,25,27,28)(H,26,30,32);2-7,10-14H,1,8-9H2,(H2,24,26,27)(H,28,29,30);1,3-7,10-14H,2,8-9H2,(H2,24,26,27)(H,28,29,30);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26)
InChIKeyFIEJINYRLZYHGP-UHFFFAOYSA-N
MW2494.97 g/mol
LogP24.43
Rot. Bonds30

About 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

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 (PubChem CID 158039546) has the molecular formula C141H132N34O8S2 and a molecular weight of 2494.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158039546
Molecular FormulaC141H132N34O8S2
Molecular Weight2494.97 g/mol
Exact Mass2493.04
IUPAC Name2-[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
SMILESCC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5cccnc5)cs4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccncc5)cs4)CCC3)cc2)cn1
InChIInChI=1S/C30H27N5O3.C24H23N7O.2C23H20N6OS.C21H23N5O.C20H19N5O/c1-37-26-15-24(16-31-19-26)22-4-7-27(33-17-22)35-29(36)30(9-12-38-13-10-30)25-5-2-20(3-6-25)23-14-21-8-11-32-28(21)34-18-23;1-31-15-19(14-29-31)17-5-8-21(26-11-17)30-22(32)24(9-2-10-24)20-6-3-16(4-7-20)18-12-27-23(25)28-13-18;24-21-26-12-17(13-27-21)15-2-4-18(5-3-15)23(8-1-9-23)20(30)29-22-28-19(14-31-22)16-6-10-25-11-7-16;24-21-26-12-17(13-27-21)15-4-6-18(7-5-15)23(8-2-9-23)20(30)29-22-28-19(14-31-22)16-3-1-10-25-11-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h2-8,11,14-19H,9-10,12-13H2,1H3,(H,32,34)(H,33,35,36);3-8,11-15H,2,9-10H2,1H3,(H2,25,27,28)(H,26,30,32);2-7,10-14H,1,8-9H2,(H2,24,26,27)(H,28,29,30);1,3-7,10-14H,2,8-9H2,(H2,24,26,27)(H,28,29,30);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26)
InChIKeyFIEJINYRLZYHGP-UHFFFAOYSA-N
XLogP24.43
TPSA614.57 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.97
LogP ≤ 524.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 157056500
N-(2-hydroxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414474
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-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)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;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 158110101
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 158185509
4-[4-(6-amino-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-(3-cyano-4-methylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylmethoxyphenyl)oxane-4-carboxamide;N-(2-methoxy-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide;N-(2-methyl-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 158371542
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
5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine
CID 158598894
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
4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 159117081
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 159192595
5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
CID 159448541

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5cccnc5)cs4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccncc5)cs4)CCC3)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is FIEJINYRLZYHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3.C24H23N7O.2C23H20N6OS.C21H23N5O.C20H19N5O/c1-37-26-15-24(16-31-19-26)22-4-7-27(33-17-22)35-29(36)30(9-12-38-13-10-30)25-5-2-20(3-6-25)23-14-21-8-11-32-28(21)34-18-23;1-31-15-19(14-29-31)17-5-8-21(26-11-17)30-22(32)24(9-2-10-24)20-6-3-16(4-7-20)18-12-27-23(25)28-13-18;24-21-26-12-17(13-27-21)15-2-4-18(5-3-15)23(8-1-9-23)20(30)29-22-28-19(14-31-22)16-6-10-25-11-7-16;24-21-26-12-17(13-27-21)15-4-6-18(7-5-15)23(8-2-9-23)20(30)29-22-28-19(14-31-22)16-3-1-10-25-11-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h2-8,11,14-19H,9-10,12-13H2,1H3,(H,32,34)(H,33,35,36);3-8,11-15H,2,9-10H2,1H3,(H2,25,27,28)(H,26,30,32);2-7,10-14H,1,8-9H2,(H2,24,26,27)(H,28,29,30);1,3-7,10-14H,2,8-9H2,(H2,24,26,27)(H,28,29,30);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26).
What are the key properties of 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?
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 has a molecular weight of 2494.97 g/mol, XLogP of 24.43, 30 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158039546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).