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

C132H125N29O12S2 — CID 158110101

IUPAC4-[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
SMILESCC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)cs1.Cn1c(=O)c2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc2n(C)c1=O.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1
InChIInChI=1S/C29H24N4O2.C27H24N6O2S.C26H25N5O2S.C25H25N7O4.C25H27N7O2/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;1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22;1-17-30-23(16-34-17)19-3-2-4-22(13-19)31-24(32)26(9-11-33-12-10-26)21-7-5-18(6-8-21)20-14-28-25(27)29-15-20;1-31-20-19(21(33)32(2)24(31)35)11-18(14-27-20)30-22(34)25(7-9-36-10-8-25)17-5-3-15(4-6-17)16-12-28-23(26)29-13-16;1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31);2-8,13-16H,9-12H2,1H3,(H,31,32)(H2,27,28,29);3-6,11-14H,7-10H2,1-2H3,(H,30,34)(H2,26,28,29);3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29)
InChIKeyFQHZDHSPGIQGAX-UHFFFAOYSA-N
MW2373.78 g/mol
LogP21.56
Rot. Bonds25

About 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

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 (PubChem CID 158110101) has the molecular formula C132H125N29O12S2 and a molecular weight of 2373.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158110101
Molecular FormulaC132H125N29O12S2
Molecular Weight2373.78 g/mol
Exact Mass2371.95
IUPAC Name4-[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
SMILESCC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)cs1.Cn1c(=O)c2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc2n(C)c1=O.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1
InChIInChI=1S/C29H24N4O2.C27H24N6O2S.C26H25N5O2S.C25H25N7O4.C25H27N7O2/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;1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22;1-17-30-23(16-34-17)19-3-2-4-22(13-19)31-24(32)26(9-11-33-12-10-26)21-7-5-18(6-8-21)20-14-28-25(27)29-15-20;1-31-20-19(21(33)32(2)24(31)35)11-18(14-27-20)30-22(34)25(7-9-36-10-8-25)17-5-3-15(4-6-17)16-12-28-23(26)29-13-16;1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31);2-8,13-16H,9-12H2,1H3,(H,31,32)(H2,27,28,29);3-6,11-14H,7-10H2,1-2H3,(H,30,34)(H2,26,28,29);3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29)
InChIKeyFQHZDHSPGIQGAX-UHFFFAOYSA-N
XLogP21.56
TPSA556.46 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002373.78
LogP ≤ 521.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

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CID 157860747
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CID 157132695
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
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methane;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylfuro[3,2-b]pyridin-7-amine;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;9-propan-2-ylpurin-6-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;7-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-ylthieno[3,2-b]pyridin-7-amine;7-propan-2-ylthieno[3,4-b]pyridin-4-amine
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CID 157240058
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bis(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-a][1,3,5]triazine;pyrrolo[1,2-b]pyridazine;pyrrolo[1,2-b][1,2,4]triazine;pyrrolo[1,2-c]pyrimidine;pyrrolo[2,1-c][1,2,4]triazine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;pyrrolo[1,2-d][1,2,4]triazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;triazolo[1,5-a]pyridine
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tris(6H-cyclopenta[b]pyrazine);5H-cyclopenta[c]pyridazine;tris(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;pyrrolo[1,2-b]pyridazine;7H-pyrrolo[2,3-c]pyridazine;pyrrolo[1,2-c]pyrimidine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine
CID 157241333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)cs1.Cn1c(=O)c2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc2n(C)c1=O.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1.
What is the InChIKey of 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?
The InChIKey is FQHZDHSPGIQGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2.C27H24N6O2S.C26H25N5O2S.C25H25N7O4.C25H27N7O2/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;1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22;1-17-30-23(16-34-17)19-3-2-4-22(13-19)31-24(32)26(9-11-33-12-10-26)21-7-5-18(6-8-21)20-14-28-25(27)29-15-20;1-31-20-19(21(33)32(2)24(31)35)11-18(14-27-20)30-22(34)25(7-9-36-10-8-25)17-5-3-15(4-6-17)16-12-28-23(26)29-13-16;1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31);2-8,13-16H,9-12H2,1H3,(H,31,32)(H2,27,28,29);3-6,11-14H,7-10H2,1-2H3,(H,30,34)(H2,26,28,29);3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29).
What are the key properties of 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?
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 has a molecular weight of 2373.78 g/mol, XLogP of 21.56, 25 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).