4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

C82H77F4N23O8 — CID 160523076

About 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 160523076) has the molecular formula C82H77F4N23O8 and a molecular weight of 1588.66 g/mol. Its IUPAC name is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
• PubChem CID: 160523076
• Molecular Formula: C82H77F4N23O8
• Molecular Weight: 1588.66 g/mol
• Exact Mass: 1587.63
• IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
• SMILES: CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2F)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6c(c5)OCO6)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6nccnc6c5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
• InChI: InChI=1S/C29H33F2N7O2.C27H22FN9O2.C26H22FN7O4/c1-5-36(4)29(39)25-27(35-19-7-9-23(21(30)16-19)38-13-11-37(6-2)12-14-38)32-17-33-28(25)40-24-10-8-22-20(26(24)31)15-18(3)34-22;1-14-10-16-17(33-14)6-7-21(24(16)28)39-26-23(27(38)37(2)3)25(31-13-32-26)34-22-12-19(35-36-22)15-4-5-18-20(11-15)30-9-8-29-18;1-13-8-15-16(30-13)5-7-19(23(15)27)38-25-22(26(35)34(2)3)24(28-11-29-25)31-21-10-17(32-33-21)14-4-6-18-20(9-14)37-12-36-18/h7-10,15-17,34H,5-6,11-14H2,1-4H3,(H,32,33,35);4-13,33H,1-3H3,(H2,31,32,34,35,36);4-11,30H,12H2,1-3H3,(H2,28,29,31,32,33)
• InChIKey: QUNNKLWUKIGRAV-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 357.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1588.66
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?

The IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (CID 160523076) is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?

The canonical SMILES for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2F)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6c(c5)OCO6)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6nccnc6c5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1.

What is the InChIKey of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?

The InChIKey is QUNNKLWUKIGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O2.C27H22FN9O2.C26H22FN7O4/c1-5-36(4)29(39)25-27(35-19-7-9-23(21(30)16-19)38-13-11-37(6-2)12-14-38)32-17-33-28(25)40-24-10-8-22-20(26(24)31)15-18(3)34-22;1-14-10-16-17(33-14)6-7-21(24(16)28)39-26-23(27(38)37(2)3)25(31-13-32-26)34-22-12-19(35-36-22)15-4-5-18-20(11-15)30-9-8-29-18;1-13-8-15-16(30-13)5-7-19(23(15)27)38-25-22(26(35)34(2)3)24(28-11-29-25)31-21-10-17(32-33-21)14-4-6-18-20(9-14)37-12-36-18/h7-10,15-17,34H,5-6,11-14H2,1-4H3,(H,32,33,35);4-13,33H,1-3H3,(H2,31,32,34,35,36);4-11,30H,12H2,1-3H3,(H2,28,29,31,32,33).

What are the key properties of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 1588.66 g/mol, XLogP of 15.05, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;N-ethyl-4-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 160523076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).