N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide

C87H102F3N21O6 — CID 161240362

IUPACN-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2)CC1
InChIInChI=1S/C30H36FN7O2.C29H34FN7O2.C28H32FN7O2/c1-5-36(4)30(39)26-28(35-22-9-7-21(8-10-22)18-38-15-13-37(6-2)14-16-38)32-19-33-29(26)40-25-12-11-24-23(27(25)31)17-20(3)34-24;1-5-36(4)29(38)25-27(34-21-8-6-20(7-9-21)17-37-14-12-35(3)13-15-37)31-18-32-28(25)39-24-11-10-23-22(26(24)30)16-19(2)33-23;1-4-35(3)28(37)24-26(34-20-7-5-19(6-8-20)16-36-13-11-30-12-14-36)31-17-32-27(24)38-23-10-9-22-21(25(23)29)15-18(2)33-22/h7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16,18,33H,5,12-15,17H2,1-4H3,(H,31,32,34);5-10,15,17,30,33H,4,11-14,16H2,1-3H3,(H,31,32,34)
InChIKeyUZXLNNUSYXPLBI-UHFFFAOYSA-N
MW1594.91 g/mol
LogP14.39
Rot. Bonds25

About N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide

N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 161240362) has the molecular formula C87H102F3N21O6 and a molecular weight of 1594.91 g/mol. Its IUPAC name is N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
PubChem CID161240362
Molecular FormulaC87H102F3N21O6
Molecular Weight1594.91 g/mol
Exact Mass1593.83
IUPAC NameN-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2)CC1
InChIInChI=1S/C30H36FN7O2.C29H34FN7O2.C28H32FN7O2/c1-5-36(4)30(39)26-28(35-22-9-7-21(8-10-22)18-38-15-13-37(6-2)14-16-38)32-19-33-29(26)40-25-12-11-24-23(27(25)31)17-20(3)34-24;1-5-36(4)29(38)25-27(34-21-8-6-20(7-9-21)17-37-14-12-35(3)13-15-37)31-18-32-28(25)39-24-11-10-23-22(26(24)30)16-19(2)33-23;1-4-35(3)28(37)24-26(34-20-7-5-19(6-8-20)16-36-13-11-30-12-14-36)31-17-32-27(24)38-23-10-9-22-21(25(23)29)15-18(2)33-22/h7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16,18,33H,5,12-15,17H2,1-4H3,(H,31,32,34);5-10,15,17,30,33H,4,11-14,16H2,1-3H3,(H,31,32,34)
InChIKeyUZXLNNUSYXPLBI-UHFFFAOYSA-N
XLogP14.39
TPSA277.65 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001594.91
LogP ≤ 514.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-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-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 162056080
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 122520593
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carbonitrile
CID 122519334
4-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-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-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 161313195
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 122521124
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520918
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethylpyrimidine-5-carboxamide
CID 134573352
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
azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]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-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
CID 158095408
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-5-yl]methanone
CID 134573411
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 122520760
(3,3-difluoroazetidin-1-yl)-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-piperazin-1-ylanilino)pyrimidin-5-yl]methanone
CID 122520882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide (CID 161240362) is N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2)CC1.
What is the InChIKey of N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is UZXLNNUSYXPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN7O2.C29H34FN7O2.C28H32FN7O2/c1-5-36(4)30(39)26-28(35-22-9-7-21(8-10-22)18-38-15-13-37(6-2)14-16-38)32-19-33-29(26)40-25-12-11-24-23(27(25)31)17-20(3)34-24;1-5-36(4)29(38)25-27(34-21-8-6-20(7-9-21)17-37-14-12-35(3)13-15-37)31-18-32-28(25)39-24-11-10-23-22(26(24)30)16-19(2)33-23;1-4-35(3)28(37)24-26(34-20-7-5-19(6-8-20)16-36-13-11-30-12-14-36)31-17-32-27(24)38-23-10-9-22-21(25(23)29)15-18(2)33-22/h7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16,18,33H,5,12-15,17H2,1-4H3,(H,31,32,34);5-10,15,17,30,33H,4,11-14,16H2,1-3H3,(H,31,32,34).
What are the key properties of N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide?
N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 1594.91 g/mol, XLogP of 14.39, 25 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 161240362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).