4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

C98H95F7N28O9 — CID 159994074

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N(C)CC)n[nH]1.CCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C28H25F4N7O2.C24H22FN7O3.2C23H24FN7O2/c1-5-38(4)27(40)23-25(33-13-34-26(23)41-22-7-6-21-20(24(22)29)8-15(2)36-21)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(3)35-14-39;1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15;1-4-31(3)23(32)19-21(28-18-10-16(29-30-18)13-5-6-13)25-11-26-22(19)33-17-8-7-15-14(20(17)24)9-12(2)27-15;1-5-7-14-11-18(30-29-14)28-21-19(23(32)31(4)6-2)22(26-12-25-21)33-17-9-8-16-15(20(17)24)10-13(3)27-16/h6-14,36H,5H2,1-4H3,(H,33,34,37);5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31);7-11,13,27H,4-6H2,1-3H3,(H2,25,26,28,29,30);5,7-12,27H,6H2,1-4H3,(H2,25,26,28,29,30)/b;;;7-5+
InChIKeyOHIAAAKOJAEWOK-LVUOFPPLSA-N
MW1942.01 g/mol
LogP20.99
Rot. Bonds28

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (PubChem CID 159994074) has the molecular formula C98H95F7N28O9 and a molecular weight of 1942.01 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
PubChem CID159994074
Molecular FormulaC98H95F7N28O9
Molecular Weight1942.01 g/mol
Exact Mass1940.77
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N(C)CC)n[nH]1.CCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C28H25F4N7O2.C24H22FN7O3.2C23H24FN7O2/c1-5-38(4)27(40)23-25(33-13-34-26(23)41-22-7-6-21-20(24(22)29)8-15(2)36-21)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(3)35-14-39;1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15;1-4-31(3)23(32)19-21(28-18-10-16(29-30-18)13-5-6-13)25-11-26-22(19)33-17-8-7-15-14(20(17)24)9-12(2)27-15;1-5-7-14-11-18(30-29-14)28-21-19(23(32)31(4)6-2)22(26-12-25-21)33-17-9-8-16-15(20(17)24)10-13(3)27-16/h6-14,36H,5H2,1-4H3,(H,33,34,37);5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31);7-11,13,27H,4-6H2,1-3H3,(H2,25,26,28,29,30);5,7-12,27H,6H2,1-4H3,(H2,25,26,28,29,30)/b;;;7-5+
InChIKeyOHIAAAKOJAEWOK-LVUOFPPLSA-N
XLogP20.99
TPSA449.56 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.01
LogP ≤ 520.99
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520628
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122520710
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
CID 122521095
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122521145
1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
5-[3-[4-[5-[5-(1-azabicyclo[4.1.0]hepta-2,4-dien-3-yl)-4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 145033221
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157055832
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 157313118
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
CID 157590526

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (CID 159994074) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is C/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N(C)CC)n[nH]1.CCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is OHIAAAKOJAEWOK-LVUOFPPLSA-N. The full InChI is InChI=1S/C28H25F4N7O2.C24H22FN7O3.2C23H24FN7O2/c1-5-38(4)27(40)23-25(33-13-34-26(23)41-22-7-6-21-20(24(22)29)8-15(2)36-21)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(3)35-14-39;1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15;1-4-31(3)23(32)19-21(28-18-10-16(29-30-18)13-5-6-13)25-11-26-22(19)33-17-8-7-15-14(20(17)24)9-12(2)27-15;1-5-7-14-11-18(30-29-14)28-21-19(23(32)31(4)6-2)22(26-12-25-21)33-17-9-8-16-15(20(17)24)10-13(3)27-16/h6-14,36H,5H2,1-4H3,(H,33,34,37);5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31);7-11,13,27H,4-6H2,1-3H3,(H2,25,26,28,29,30);5,7-12,27H,6H2,1-4H3,(H2,25,26,28,29,30)/b;;;7-5+.
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 1942.01 g/mol, XLogP of 20.99, 28 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159994074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).