4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide

C77H77F6N19O7 — CID 157435905

About 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 157435905) has the molecular formula C77H77F6N19O7 and a molecular weight of 1494.58 g/mol. Its IUPAC name is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
• PubChem CID: 157435905
• Molecular Formula: C77H77F6N19O7
• Molecular Weight: 1494.58 g/mol
• Exact Mass: 1493.62
• IUPAC Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
• SMILES: CNC(=O)c1c(Nc2ccc(CC(C)=O)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CN3CCN(C)CC3)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
• InChI: InChI=1S/C27H29F2N7O2.C26H27F2N7O2.C24H21F2N5O3/c1-16-12-19-23(29)21(13-20(28)24(19)33-16)38-27-22(26(37)30-2)25(31-15-32-27)34-18-6-4-17(5-7-18)14-36-10-8-35(3)9-11-36;1-15-11-18-22(28)20(12-19(27)23(18)33-15)37-26-21(25(36)29-2)24(31-14-32-26)34-17-5-3-16(4-6-17)13-35-9-7-30-8-10-35;1-12-8-16-20(26)18(10-17(25)21(16)30-12)34-24-19(23(33)27-3)22(28-11-29-24)31-15-6-4-14(5-7-15)9-13(2)32/h4-7,12-13,15,33H,8-11,14H2,1-3H3,(H,30,37)(H,31,32,34);3-6,11-12,14,30,33H,7-10,13H2,1-2H3,(H,29,36)(H,31,32,34);4-8,10-11,30H,9H2,1-3H3,(H,27,33)(H,28,29,31)
• InChIKey: BRCBADZAUORIDV-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 314.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.58
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide (CID 157435905) is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide is CNC(=O)c1c(Nc2ccc(CC(C)=O)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CN3CCN(C)CC3)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.

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

The InChIKey is BRCBADZAUORIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O2.C26H27F2N7O2.C24H21F2N5O3/c1-16-12-19-23(29)21(13-20(28)24(19)33-16)38-27-22(26(37)30-2)25(31-15-32-27)34-18-6-4-17(5-7-18)14-36-10-8-35(3)9-11-36;1-15-11-18-22(28)20(12-19(27)23(18)33-15)37-26-21(25(36)29-2)24(31-14-32-26)34-17-5-3-16(4-6-17)13-35-9-7-30-8-10-35;1-12-8-16-20(26)18(10-17(25)21(16)30-12)34-24-19(23(33)27-3)22(28-11-29-24)31-15-6-4-14(5-7-15)9-13(2)32/h4-7,12-13,15,33H,8-11,14H2,1-3H3,(H,30,37)(H,31,32,34);3-6,11-12,14,30,33H,7-10,13H2,1-2H3,(H,29,36)(H,31,32,34);4-8,10-11,30H,9H2,1-3H3,(H,27,33)(H,28,29,31).

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

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 1494.58 g/mol, XLogP of 12.60, 21 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 157435905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).