azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone

C98H83F11N28O9 — CID 159689855

About azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (PubChem CID 159689855) has the molecular formula C98H83F11N28O9 and a molecular weight of 2005.91 g/mol. Its IUPAC name is azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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 Name: azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
• PubChem CID: 159689855
• Molecular Formula: C98H83F11N28O9
• Molecular Weight: 2005.91 g/mol
• Exact Mass: 2004.67
• IUPAC Name: azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
• SMILES: C/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)N2CCC2)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C28H22F5N7O2.C24H19F2N7O3.2C23H21F2N7O2/c1-14-6-19-23(30)21(10-20(29)24(19)37-14)42-26-22(27(41)39-4-3-5-39)25(34-12-35-26)38-17-7-16(28(31,32)33)8-18(9-17)40-11-15(2)36-13-40;1-12-8-13-20(26)17(9-14(25)21(13)29-12)36-23-19(24(34)33-5-3-6-33)22(27-11-28-23)30-18-10-15(31-32-18)16-4-2-7-35-16;1-11-7-13-19(25)16(8-14(24)20(13)28-11)34-22-18(23(33)32-5-2-6-32)21(26-10-27-22)29-17-9-15(30-31-17)12-3-4-12;1-3-5-13-9-17(31-30-13)29-21-18(23(33)32-6-4-7-32)22(27-11-26-21)34-16-10-15(24)20-14(19(16)25)8-12(2)28-20/h6-13,37H,3-5H2,1-2H3,(H,34,35,38);2,4,7-11,29H,3,5-6H2,1H3,(H2,27,28,30,31,32);7-10,12,28H,2-6H2,1H3,(H2,26,27,29,30,31);3,5,8-11,28H,4,6-7H2,1-2H3,(H2,26,27,29,30,31)/b;;;5-3+
• InChIKey: MWGQNSBDVKCTQM-AHDBZTRMSA-N
• XLogP: 20.56
• TPSA: 449.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2005.91
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (CID 159689855) is azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)N2CCC2)n[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1.Cc1cn(-c2cc(Nc3ncnc(Oc4cc(F)c5[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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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 MWGQNSBDVKCTQM-AHDBZTRMSA-N. The full InChI is InChI=1S/C28H22F5N7O2.C24H19F2N7O3.2C23H21F2N7O2/c1-14-6-19-23(30)21(10-20(29)24(19)37-14)42-26-22(27(41)39-4-3-5-39)25(34-12-35-26)38-17-7-16(28(31,32)33)8-18(9-17)40-11-15(2)36-13-40;1-12-8-13-20(26)17(9-14(25)21(13)29-12)36-23-19(24(34)33-5-3-6-33)22(27-11-28-23)30-18-10-15(31-32-18)16-4-2-7-35-16;1-11-7-13-19(25)16(8-14(24)20(13)28-11)34-22-18(23(33)32-5-2-6-32)21(26-10-27-22)29-17-9-15(30-31-17)12-3-4-12;1-3-5-13-9-17(31-30-13)29-21-18(23(33)32-6-4-7-32)22(27-11-26-21)34-16-10-15(24)20-14(19(16)25)8-12(2)28-20/h6-13,37H,3-5H2,1-2H3,(H,34,35,38);2,4,7-11,29H,3,5-6H2,1H3,(H2,27,28,30,31,32);7-10,12,28H,2-6H2,1H3,(H2,26,27,29,30,31);3,5,8-11,28H,4,6-7H2,1-2H3,(H2,26,27,29,30,31)/b;;;5-3+.

What are the key properties of azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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 2005.91 g/mol, XLogP of 20.56, 24 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;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;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-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 159689855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).