4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide

C134H130F3N25O12 — CID 159321756

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
SMILESCOc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C(C)C)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C(C)C)nc2)c1.Cc1cc(C)c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2n1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(-c5ccccc5)no4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C30H29N5O2.C30H31N5O2.C26H26N6O2.C25H23N5O3.C23H21F3N4O3/c1-19(2)30(3,25-9-5-20(6-10-25)24-15-21-13-14-31-28(21)34-18-24)29(36)35-26-11-7-22(16-32-26)23-8-12-27(37-4)33-17-23;1-19(2)30(3,25-8-5-20(6-9-25)23-13-21-11-12-32-28(21)34-17-23)29(36)35-27-10-7-22(16-33-27)24-14-26(37-4)18-31-15-24;1-16-13-17(2)30-23-21(16)7-8-22(31-23)32-24(33)26(9-11-34-12-10-26)20-5-3-18(4-6-20)19-14-28-25(27)29-15-19;26-24-27-15-19(16-28-24)17-6-8-20(9-7-17)25(10-12-32-13-11-25)23(31)29-22-14-21(30-33-22)18-4-2-1-3-5-18;24-23(25,26)33-19-7-5-18(6-8-19)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16/h5-19H,1-4H3,(H,31,34)(H,32,35,36);5-10,13-19H,11-12H2,1-4H3,(H,32,34)(H,33,35,36);3-8,13-15H,9-12H2,1-2H3,(H2,27,28,29)(H,30,31,32,33);1-9,14-16H,10-13H2,(H,29,31)(H2,26,27,28);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29)
InChIKeyLDVWIFVAEGHICJ-UHFFFAOYSA-N
MW2339.67 g/mol
LogP24.33
Rot. Bonds28

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide (PubChem CID 159321756) has the molecular formula C134H130F3N25O12 and a molecular weight of 2339.67 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
PubChem CID159321756
Molecular FormulaC134H130F3N25O12
Molecular Weight2339.67 g/mol
Exact Mass2338.03
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
SMILESCOc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C(C)C)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C(C)C)nc2)c1.Cc1cc(C)c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2n1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(-c5ccccc5)no4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C30H29N5O2.C30H31N5O2.C26H26N6O2.C25H23N5O3.C23H21F3N4O3/c1-19(2)30(3,25-9-5-20(6-10-25)24-15-21-13-14-31-28(21)34-18-24)29(36)35-26-11-7-22(16-32-26)23-8-12-27(37-4)33-17-23;1-19(2)30(3,25-8-5-20(6-9-25)23-13-21-11-12-32-28(21)34-17-23)29(36)35-27-10-7-22(16-33-27)24-14-26(37-4)18-31-15-24;1-16-13-17(2)30-23-21(16)7-8-22(31-23)32-24(33)26(9-11-34-12-10-26)20-5-3-18(4-6-20)19-14-28-25(27)29-15-19;26-24-27-15-19(16-28-24)17-6-8-20(9-7-17)25(10-12-32-13-11-25)23(31)29-22-14-21(30-33-22)18-4-2-1-3-5-18;24-23(25,26)33-19-7-5-18(6-8-19)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16/h5-19H,1-4H3,(H,31,34)(H,32,35,36);5-10,13-19H,11-12H2,1-4H3,(H,32,34)(H,33,35,36);3-8,13-15H,9-12H2,1-2H3,(H2,27,28,29)(H,30,31,32,33);1-9,14-16H,10-13H2,(H,29,31)(H2,26,27,28);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29)
InChIKeyLDVWIFVAEGHICJ-UHFFFAOYSA-N
XLogP24.33
TPSA513.25 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002339.67
LogP ≤ 524.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide with MolForge

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[6-(3-fluoropyrrolidin-1-yl)-1-[[2-[[6-(3-fluoropyrrolidin-1-yl)-1-[[2-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-4-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
CID 91317143
1-[(8S)-8-ethyl-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158107707
1-[(8S)-8-ethyl-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 160934977
1-[7-[5-[[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]methyl]morpholin-2-yl]methyl]-3-methyl-1,2-oxazol-4-yl]-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-N,N-dimethylmethanamine
CID 132124307
3-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-4-pyridinyl)-1,2-oxazol-5-amine;3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-4-pyridinyl)-1,2-oxazol-5-amine;3-(5-methoxy-2-pyridinyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368951
4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 157412115
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]oxane-4-carboxamide;6-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-3-carbonitrile;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-ylcyclohexane-1-carboxamide;N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 157650228
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-fluoroquinolin-4-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-9H-pyrimido[4,5-b]indole-2-carboxamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
CID 157947584
4-cyclohexylmorpholine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 157999206
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-fluoroquinolin-4-yl)-6-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]-9H-pyrimido[4,5-b]indole-2-carboxamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylic acid;1-(oxan-4-yl)piperidin-4-amine
CID 158042476
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine
CID 158190877
8-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N,N-dimethylaniline;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]methyl]-N-ethylethanamine;4-[6-methoxy-2-methyl-4-(1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(pyrrolidin-1-ylmethyl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158427099

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide (CID 159321756) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide is COc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C(C)C)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C(C)C)nc2)c1.Cc1cc(C)c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2n1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(-c5ccccc5)no4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The InChIKey is LDVWIFVAEGHICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2.C30H31N5O2.C26H26N6O2.C25H23N5O3.C23H21F3N4O3/c1-19(2)30(3,25-9-5-20(6-10-25)24-15-21-13-14-31-28(21)34-18-24)29(36)35-26-11-7-22(16-32-26)23-8-12-27(37-4)33-17-23;1-19(2)30(3,25-8-5-20(6-9-25)23-13-21-11-12-32-28(21)34-17-23)29(36)35-27-10-7-22(16-33-27)24-14-26(37-4)18-31-15-24;1-16-13-17(2)30-23-21(16)7-8-22(31-23)32-24(33)26(9-11-34-12-10-26)20-5-3-18(4-6-20)19-14-28-25(27)29-15-19;26-24-27-15-19(16-28-24)17-6-8-20(9-7-17)25(10-12-32-13-11-25)23(31)29-22-14-21(30-33-22)18-4-2-1-3-5-18;24-23(25,26)33-19-7-5-18(6-8-19)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16/h5-19H,1-4H3,(H,31,34)(H,32,35,36);5-10,13-19H,11-12H2,1-4H3,(H,32,34)(H,33,35,36);3-8,13-15H,9-12H2,1-2H3,(H2,27,28,29)(H,30,31,32,33);1-9,14-16H,10-13H2,(H,29,31)(H2,26,27,28);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide has a molecular weight of 2339.67 g/mol, XLogP of 24.33, 28 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethoxy)phenyl]oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide is sourced from PubChem (CID 159321756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).