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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C89H101F6N21O7 — CID 158391260

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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2)CC1
InChIInChI=1S/C30H33F4N7O2.C30H36FN7O2.C29H32FN7O3/c1-5-40(4)29(42)25-27(35-17-36-28(25)43-24-9-8-23-21(26(24)31)14-18(2)37-23)38-20-7-6-19(22(15-20)30(32,33)34)16-41-12-10-39(3)11-13-41;1-5-36(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(39)24-26(34-20-8-6-19(7-9-20)28(38)37-14-12-35(3)13-15-37)31-17-32-27(24)40-23-11-10-22-21(25(23)30)16-18(2)33-22/h6-9,14-15,17,37H,5,10-13,16H2,1-4H3,(H,35,36,38);7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16-17,33H,5,12-15H2,1-4H3,(H,31,32,34)
InChIKeyGWZLGDWWGYEOHQ-UHFFFAOYSA-N
MW1690.91 g/mol
LogP15.39
Rot. Bonds24

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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 158391260) has the molecular formula C89H101F6N21O7 and a molecular weight of 1690.91 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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID158391260
Molecular FormulaC89H101F6N21O7
Molecular Weight1690.91 g/mol
Exact Mass1689.81
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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N(C)CC)cc2)CC1
InChIInChI=1S/C30H33F4N7O2.C30H36FN7O2.C29H32FN7O3/c1-5-40(4)29(42)25-27(35-17-36-28(25)43-24-9-8-23-21(26(24)31)14-18(2)37-23)38-20-7-6-19(22(15-20)30(32,33)34)16-41-12-10-39(3)11-13-41;1-5-36(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(39)24-26(34-20-8-6-19(7-9-20)28(38)37-14-12-35(3)13-15-37)31-17-32-27(24)40-23-11-10-22-21(25(23)30)16-18(2)33-22/h6-9,14-15,17,37H,5,10-13,16H2,1-4H3,(H,35,36,38);7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16-17,33H,5,12-15H2,1-4H3,(H,31,32,34)
InChIKeyGWZLGDWWGYEOHQ-UHFFFAOYSA-N
XLogP15.39
TPSA285.93 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.91
LogP ≤ 515.39
H-Bond Donors ≤ 56
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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166642
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166745
3-[7-fluoro-6-[4-[[4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]cyclohexyl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165136903
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[6-(pyridine-3-carbonylamino)pyrimidin-4-yl]oxy-2,3-dihydroindole-1-carboxamide
CID 59596390
5-[6-(3-carbamoylpyridin-2-yl)pyrimidin-4-yl]oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67530564
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[6-(pyridine-3-carbonylamino)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 67530568
5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 87434012
5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 87434510
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 87780287
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carbonitrile
CID 122519397
4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide
CID 122520523
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 122520559

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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 158391260) 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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is GWZLGDWWGYEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F4N7O2.C30H36FN7O2.C29H32FN7O3/c1-5-40(4)29(42)25-27(35-17-36-28(25)43-24-9-8-23-21(26(24)31)14-18(2)37-23)38-20-7-6-19(22(15-20)30(32,33)34)16-41-12-10-39(3)11-13-41;1-5-36(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(39)24-26(34-20-8-6-19(7-9-20)28(38)37-14-12-35(3)13-15-37)31-17-32-27(24)40-23-11-10-22-21(25(23)30)16-18(2)33-22/h6-9,14-15,17,37H,5,10-13,16H2,1-4H3,(H,35,36,38);7-12,17,19,34H,5-6,13-16,18H2,1-4H3,(H,32,33,35);6-11,16-17,33H,5,12-15H2,1-4H3,(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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 1690.91 g/mol, XLogP of 15.39, 24 rotatable bonds, 6 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-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 158391260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).