4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide

C110H117F11N30O9 — CID 159205109

About 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 159205109) has the molecular formula C110H117F11N30O9 and a molecular weight of 2212.32 g/mol. Its IUPAC name is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
• PubChem CID: 159205109
• Molecular Formula: C110H117F11N30O9
• Molecular Weight: 2212.32 g/mol
• Exact Mass: 2210.94
• IUPAC Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
• SMILES: Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cn4)c3C(=O)N(C)C)cc(F)c2[nH]1
• InChI: InChI=1S/C29H30F5N7O2.C28H29F2N7O3.C27H30F2N8O2.C26H28F2N8O2/c1-16-11-19-24(31)22(13-21(30)25(19)37-16)43-27-23(28(42)39(2)3)26(35-15-36-27)38-18-6-5-17(20(12-18)29(32,33)34)14-41-9-7-40(4)8-10-41;1-16-13-19-23(30)21(14-20(29)24(19)33-16)40-26-22(28(39)35(2)3)25(31-15-32-26)34-18-7-5-17(6-8-18)27(38)37-11-9-36(4)10-12-37;1-16-11-18-23(29)20(12-19(28)24(18)33-16)39-26-22(27(38)35(2)3)25(31-15-32-26)34-21-6-5-17(13-30-21)14-37-9-7-36(4)8-10-37;1-15-10-17-22(28)19(11-18(27)23(17)33-15)38-25-21(26(37)35(2)3)24(31-14-32-25)34-20-5-4-16(12-30-20)13-36-8-6-29-7-9-36/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,35,36,38);5-8,13-15,33H,9-12H2,1-4H3,(H,31,32,34);5-6,11-13,15,33H,7-10,14H2,1-4H3,(H,30,31,32,34);4-5,10-12,14,29,33H,6-9,13H2,1-3H3,(H,30,31,32,34)
• InChIKey: KPTXLCWREPUMOR-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 410.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.32
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide?

The IUPAC name of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide (CID 159205109) is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide?

The canonical SMILES for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide is Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cn4)c3C(=O)N(C)C)cc(F)c2[nH]1.

What is the InChIKey of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide?

The InChIKey is KPTXLCWREPUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F5N7O2.C28H29F2N7O3.C27H30F2N8O2.C26H28F2N8O2/c1-16-11-19-24(31)22(13-21(30)25(19)37-16)43-27-23(28(42)39(2)3)26(35-15-36-27)38-18-6-5-17(20(12-18)29(32,33)34)14-41-9-7-40(4)8-10-41;1-16-13-19-23(30)21(14-20(29)24(19)33-16)40-26-22(28(39)35(2)3)25(31-15-32-26)34-18-7-5-17(6-8-18)27(38)37-11-9-36(4)10-12-37;1-16-11-18-23(29)20(12-19(28)24(18)33-16)39-26-22(27(38)35(2)3)25(31-15-32-26)34-21-6-5-17(13-30-21)14-37-9-7-36(4)8-10-37;1-15-10-17-22(28)19(11-18(27)23(17)33-15)38-25-21(26(37)35(2)3)24(31-14-32-25)34-20-5-4-16(12-30-20)13-36-8-6-29-7-9-36/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,35,36,38);5-8,13-15,33H,9-12H2,1-4H3,(H,31,32,34);5-6,11-13,15,33H,7-10,14H2,1-4H3,(H,30,31,32,34);4-5,10-12,14,29,33H,6-9,13H2,1-3H3,(H,30,31,32,34).

What are the key properties of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide?

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 2212.32 g/mol, XLogP of 17.23, 27 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159205109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).