azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone

C102H98F7N29O8 — CID 158941517

IUPACazetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
SMILESC/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N2CCC2)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C28H23F4N7O2.C28H31FN8O2.2C23H22FN7O2/c1-15-8-20-21(36-15)4-5-22(24(20)29)41-26-23(27(40)38-6-3-7-38)25(33-13-34-26)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(2)35-14-39;1-18-14-20-21(33-18)5-6-22(25(20)29)39-27-24(28(38)37-8-3-9-37)26(31-17-32-27)34-23-7-4-19(15-30-23)16-36-12-10-35(2)11-13-36;1-12-9-14-15(27-12)5-6-17(20(14)24)33-22-19(23(32)31-7-2-8-31)21(25-11-26-22)28-18-10-16(29-30-18)13-3-4-13;1-3-5-14-11-18(30-29-14)28-21-19(23(32)31-8-4-9-31)22(26-12-25-21)33-17-7-6-16-15(20(17)24)10-13(2)27-16/h4-5,8-14,36H,3,6-7H2,1-2H3,(H,33,34,37);4-7,14-15,17,33H,3,8-13,16H2,1-2H3,(H,30,31,32,34);5-6,9-11,13,27H,2-4,7-8H2,1H3,(H2,25,26,28,29,30);3,5-7,10-12,27H,4,8-9H2,1-2H3,(H2,25,26,28,29,30)/b;;;5-3+
InChIKeyJKHQJKRGGVDYPN-AHDBZTRMSA-N
MW1991.09 g/mol
LogP19.16
Rot. Bonds25

About azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone

azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (PubChem CID 158941517) has the molecular formula C102H98F7N29O8 and a molecular weight of 1991.09 g/mol. Its IUPAC name is azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
PubChem CID158941517
Molecular FormulaC102H98F7N29O8
Molecular Weight1991.09 g/mol
Exact Mass1989.80
IUPAC Nameazetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
SMILESC/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N2CCC2)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C28H23F4N7O2.C28H31FN8O2.2C23H22FN7O2/c1-15-8-20-21(36-15)4-5-22(24(20)29)41-26-23(27(40)38-6-3-7-38)25(33-13-34-26)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(2)35-14-39;1-18-14-20-21(33-18)5-6-22(25(20)29)39-27-24(28(38)37-8-3-9-37)26(31-17-32-27)34-23-7-4-19(15-30-23)16-36-12-10-35(2)11-13-36;1-12-9-14-15(27-12)5-6-17(20(14)24)33-22-19(23(32)31-7-2-8-31)21(25-11-26-22)28-18-10-16(29-30-18)13-3-4-13;1-3-5-14-11-18(30-29-14)28-21-19(23(32)31-8-4-9-31)22(26-12-25-21)33-17-7-6-16-15(20(17)24)10-13(2)27-16/h4-5,8-14,36H,3,6-7H2,1-2H3,(H,33,34,37);4-7,14-15,17,33H,3,8-13,16H2,1-2H3,(H,30,31,32,34);5-6,9-11,13,27H,2-4,7-8H2,1H3,(H2,25,26,28,29,30);3,5-7,10-12,27H,4,8-9H2,1-2H3,(H2,25,26,28,29,30)/b;;;5-3+
InChIKeyJKHQJKRGGVDYPN-AHDBZTRMSA-N
XLogP19.16
TPSA427.11 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001991.09
LogP ≤ 519.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

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
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 122521127
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 122521140
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122521146
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 134573363
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[[4-[[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]amino]pyrimidine-5-carbonyl]azetidin-2-yl]methyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 145145222
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[6-[[4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]-methylamino]propyl]piperazin-1-yl]methyl]pyridin-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 145145396
N-[3-[4-[[5-[[5-[ethyl(methyl)carbamoyl]-6-[(4-fluoro-2-methyl-6,7-dihydro-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]-2-pyridinyl]methyl]piperazin-1-yl]propyl]-4-[(4-fluoro-2-methyl-2,3-dihydro-1H-indol-5-yl)oxy]-N-methyl-6-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]methyl]pyrimidine-5-carboxamide
CID 156395921
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
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-(hydroxymethyl)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 157335702
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
(3,3-difluoroazetidin-1-yl)-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;(3,3-difluoroazetidin-1-yl)-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;(3,3-difluoroazetidin-1-yl)-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
CID 157643980

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (CID 158941517) is azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone is C/C=C/c1cc(Nc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)N2CCC2)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone?
The InChIKey is JKHQJKRGGVDYPN-AHDBZTRMSA-N. The full InChI is InChI=1S/C28H23F4N7O2.C28H31FN8O2.2C23H22FN7O2/c1-15-8-20-21(36-15)4-5-22(24(20)29)41-26-23(27(40)38-6-3-7-38)25(33-13-34-26)37-18-9-17(28(30,31)32)10-19(11-18)39-12-16(2)35-14-39;1-18-14-20-21(33-18)5-6-22(25(20)29)39-27-24(28(38)37-8-3-9-37)26(31-17-32-27)34-23-7-4-19(15-30-23)16-36-12-10-35(2)11-13-36;1-12-9-14-15(27-12)5-6-17(20(14)24)33-22-19(23(32)31-7-2-8-31)21(25-11-26-22)28-18-10-16(29-30-18)13-3-4-13;1-3-5-14-11-18(30-29-14)28-21-19(23(32)31-8-4-9-31)22(26-12-25-21)33-17-7-6-16-15(20(17)24)10-13(2)27-16/h4-5,8-14,36H,3,6-7H2,1-2H3,(H,33,34,37);4-7,14-15,17,33H,3,8-13,16H2,1-2H3,(H,30,31,32,34);5-6,9-11,13,27H,2-4,7-8H2,1H3,(H2,25,26,28,29,30);3,5-7,10-12,27H,4,8-9H2,1-2H3,(H2,25,26,28,29,30)/b;;;5-3+.
What are the key properties of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone?
azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone has a molecular weight of 1991.09 g/mol, XLogP of 19.16, 25 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 158941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).