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

C120H109N27O8S — CID 159192595

IUPAC6-[[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
SMILESCOc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)cn4)CCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1
InChIInChI=1S/C29H24N4O2.C26H23N5O.C23H21N7OS.C21H20N6O2.C21H21N5O2/c34-28(33-26-12-11-25(19-31-26)35-24-5-2-1-3-6-24)29(14-4-15-29)23-9-7-20(8-10-23)22-17-21-13-16-30-27(21)32-18-22;27-25-29-16-21(17-30-25)19-7-10-22(11-8-19)26(13-4-14-26)24(32)31-23-12-9-20(15-28-23)18-5-2-1-3-6-18;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeyKOGUOEGNVDFNLI-UHFFFAOYSA-N
MW2089.44 g/mol
LogP20.80
Rot. Bonds26

About 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

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 (PubChem CID 159192595) has the molecular formula C120H109N27O8S and a molecular weight of 2089.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID159192595
Molecular FormulaC120H109N27O8S
Molecular Weight2089.44 g/mol
Exact Mass2087.87
IUPAC Name6-[[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
SMILESCOc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)cn4)CCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1
InChIInChI=1S/C29H24N4O2.C26H23N5O.C23H21N7OS.C21H20N6O2.C21H21N5O2/c34-28(33-26-12-11-25(19-31-26)35-24-5-2-1-3-6-24)29(14-4-15-29)23-9-7-20(8-10-23)22-17-21-13-16-30-27(21)32-18-22;27-25-29-16-21(17-30-25)19-7-10-22(11-8-19)26(13-4-14-26)24(32)31-23-12-9-20(15-28-23)18-5-2-1-3-6-18;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeyKOGUOEGNVDFNLI-UHFFFAOYSA-N
XLogP20.80
TPSA533.16 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002089.44
LogP ≤ 520.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

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
N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
CID 66619129
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
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-[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
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
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
21-Fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one;10-fluoro-8-(methylamino)-2-oxa-23-thia-4,6,15,20,25,29-hexazapentacyclo[22.2.2.13,14.05,13.07,12]nonacosa-1(26),3,5(13),7(12),8,10,14(29),24,27-nonaen-21-one;10-fluoro-8-(methylamino)-2-oxa-25-thia-4,6,15,27,31-pentazapentacyclo[24.2.2.13,14.05,13.07,12]hentriaconta-1(28),3,5(13),7(12),8,10,14(31),26,29-nonaen-23-one
CID 158395125
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
1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 158972475

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)cn4)CCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1.
What is the InChIKey of 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?
The InChIKey is KOGUOEGNVDFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2.C26H23N5O.C23H21N7OS.C21H20N6O2.C21H21N5O2/c34-28(33-26-12-11-25(19-31-26)35-24-5-2-1-3-6-24)29(14-4-15-29)23-9-7-20(8-10-23)22-17-21-13-16-30-27(21)32-18-22;27-25-29-16-21(17-30-25)19-7-10-22(11-8-19)26(13-4-14-26)24(32)31-23-12-9-20(15-28-23)18-5-2-1-3-6-18;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25).
What are the key properties of 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?
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 has a molecular weight of 2089.44 g/mol, XLogP of 20.80, 26 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159192595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).