4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

C71H64F9N21O6 — CID 159106860

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)N(C)C)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N(C)C)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H22F5N7O2.2C22H21F2N7O2/c1-13-5-18-22(29)20(9-19(28)23(18)36-13)41-25-21(26(40)38(3)4)24(33-11-34-25)37-16-6-15(27(30,31)32)7-17(8-16)39-10-14(2)35-12-39;1-10-6-12-18(24)15(7-13(23)19(12)27-10)33-21-17(22(32)31(2)3)20(25-9-26-21)28-16-8-14(29-30-16)11-4-5-11;1-5-6-12-8-16(30-29-12)28-20-17(22(32)31(3)4)21(26-10-25-20)33-15-9-14(23)19-13(18(15)24)7-11(2)27-19/h5-12,36H,1-4H3,(H,33,34,37);6-9,11,27H,4-5H2,1-3H3,(H2,25,26,28,29,30);5-10,27H,1-4H3,(H2,25,26,28,29,30)/b;;6-5+
InChIKeyKDZNNZDQNIXACI-PNVBZASYSA-N
MW1478.42 g/mol
LogP15.22
Rot. Bonds18

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (PubChem CID 159106860) has the molecular formula C71H64F9N21O6 and a molecular weight of 1478.42 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
PubChem CID159106860
Molecular FormulaC71H64F9N21O6
Molecular Weight1478.42 g/mol
Exact Mass1477.52
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)N(C)C)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N(C)C)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H22F5N7O2.2C22H21F2N7O2/c1-13-5-18-22(29)20(9-19(28)23(18)36-13)41-25-21(26(40)38(3)4)24(33-11-34-25)37-16-6-15(27(30,31)32)7-17(8-16)39-10-14(2)35-12-39;1-10-6-12-18(24)15(7-13(23)19(12)27-10)33-21-17(22(32)31(2)3)20(25-9-26-21)28-16-8-14(29-30-16)11-4-5-11;1-5-6-12-8-16(30-29-12)28-20-17(22(32)31(3)4)21(26-10-25-20)33-15-9-14(23)19-13(18(15)24)7-11(2)27-19/h5-12,36H,1-4H3,(H,33,34,37);6-9,11,27H,4-5H2,1-3H3,(H2,25,26,28,29,30);5-10,27H,1-4H3,(H2,25,26,28,29,30)/b;;6-5+
InChIKeyKDZNNZDQNIXACI-PNVBZASYSA-N
XLogP15.22
TPSA324.60 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001478.42
LogP ≤ 515.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 122519335
4-[[5-(4,5-didehydropyridin-2-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
CID 122519510
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520508
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520509
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520578
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 122520588
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 122520620
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 122520649
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520672
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
CID 122520677
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520680
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520684

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-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 159106860) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is C/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)N(C)C)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N(C)C)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is KDZNNZDQNIXACI-PNVBZASYSA-N. The full InChI is InChI=1S/C27H22F5N7O2.2C22H21F2N7O2/c1-13-5-18-22(29)20(9-19(28)23(18)36-13)41-25-21(26(40)38(3)4)24(33-11-34-25)37-16-6-15(27(30,31)32)7-17(8-16)39-10-14(2)35-12-39;1-10-6-12-18(24)15(7-13(23)19(12)27-10)33-21-17(22(32)31(2)3)20(25-9-26-21)28-16-8-14(29-30-16)11-4-5-11;1-5-6-12-8-16(30-29-12)28-20-17(22(32)31(3)4)21(26-10-25-20)33-15-9-14(23)19-13(18(15)24)7-11(2)27-19/h5-12,36H,1-4H3,(H,33,34,37);6-9,11,27H,4-5H2,1-3H3,(H2,25,26,28,29,30);5-10,27H,1-4H3,(H2,25,26,28,29,30)/b;;6-5+.
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 1478.42 g/mol, XLogP of 15.22, 18 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159106860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).