2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide

C173H204F7N47O14 — CID 158197883

IUPAC2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ncccn4)cc3)c(F)n2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1ccnc(CNC(=O)Cc2cnc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1
InChIInChI=1S/3C25H30FN7O2.2C25H29FN6O2.2C24H28FN7O2/c1-18-27-8-7-21(30-18)16-28-23(34)15-19-3-5-20(6-4-19)22-17-29-25(31-24(22)26)35-14-13-33-11-9-32(2)10-12-33;1-18-7-8-27-22(30-18)17-28-23(34)15-19-3-5-20(6-4-19)21-16-29-25(31-24(21)26)35-14-13-33-11-9-32(2)10-12-33;1-18-5-6-27-23(31-18)17-28-24(34)13-19-15-29-25(30-16-19)21-4-3-20(14-22(21)26)35-12-11-33-9-7-32(2)8-10-33;1-31-10-12-32(13-11-31)14-15-34-25-29-18-22(24(26)30-25)20-7-5-19(6-8-20)16-23(33)28-17-21-4-2-3-9-27-21;1-31-8-10-32(11-9-31)12-13-34-21-5-6-22(23(26)15-21)25-29-16-19(17-30-25)14-24(33)28-18-20-4-2-3-7-27-20;1-31-9-11-32(12-10-31)13-14-34-24-29-16-20(23(25)30-24)19-5-3-18(4-6-19)15-22(33)28-17-21-26-7-2-8-27-21;1-31-7-9-32(10-8-31)11-12-34-19-3-4-20(21(25)14-19)24-29-15-18(16-30-24)13-23(33)28-17-22-26-5-2-6-27-22/h3-8,17H,9-16H2,1-2H3,(H,28,34);3-8,16H,9-15,17H2,1-2H3,(H,28,34);3-6,14-16H,7-13,17H2,1-2H3,(H,28,34);2-9,18H,10-17H2,1H3,(H,28,33);2-7,15-17H,8-14,18H2,1H3,(H,28,33);2-8,16H,9-15,17H2,1H3,(H,28,33);2-6,14-16H,7-13,17H2,1H3,(H,28,33)
InChIKeyGAOFYLDBVRJXKZ-UHFFFAOYSA-N
MW3298.84 g/mol
LogP13.04
Rot. Bonds63

About 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide

2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (PubChem CID 158197883) has the molecular formula C173H204F7N47O14 and a molecular weight of 3298.84 g/mol. Its IUPAC name is 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
PubChem CID158197883
Molecular FormulaC173H204F7N47O14
Molecular Weight3298.84 g/mol
Exact Mass3296.66
IUPAC Name2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ncccn4)cc3)c(F)n2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1ccnc(CNC(=O)Cc2cnc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1
InChIInChI=1S/3C25H30FN7O2.2C25H29FN6O2.2C24H28FN7O2/c1-18-27-8-7-21(30-18)16-28-23(34)15-19-3-5-20(6-4-19)22-17-29-25(31-24(22)26)35-14-13-33-11-9-32(2)10-12-33;1-18-7-8-27-22(30-18)17-28-23(34)15-19-3-5-20(6-4-19)21-16-29-25(31-24(21)26)35-14-13-33-11-9-32(2)10-12-33;1-18-5-6-27-23(31-18)17-28-24(34)13-19-15-29-25(30-16-19)21-4-3-20(14-22(21)26)35-12-11-33-9-7-32(2)8-10-33;1-31-10-12-32(13-11-31)14-15-34-25-29-18-22(24(26)30-25)20-7-5-19(6-8-20)16-23(33)28-17-21-4-2-3-9-27-21;1-31-8-10-32(11-9-31)12-13-34-21-5-6-22(23(26)15-21)25-29-16-19(17-30-25)14-24(33)28-18-20-4-2-3-7-27-20;1-31-9-11-32(12-10-31)13-14-34-24-29-16-20(23(25)30-24)19-5-3-18(4-6-19)15-22(33)28-17-21-26-7-2-8-27-21;1-31-7-9-32(10-8-31)11-12-34-19-3-4-20(21(25)14-19)24-29-15-18(16-30-24)13-23(33)28-17-22-26-5-2-6-27-22/h3-8,17H,9-16H2,1-2H3,(H,28,34);3-8,16H,9-15,17H2,1-2H3,(H,28,34);3-6,14-16H,7-13,17H2,1-2H3,(H,28,34);2-9,18H,10-17H2,1H3,(H,28,33);2-7,15-17H,8-14,18H2,1H3,(H,28,33);2-8,16H,9-15,17H2,1H3,(H,28,33);2-6,14-16H,7-13,17H2,1H3,(H,28,33)
InChIKeyGAOFYLDBVRJXKZ-UHFFFAOYSA-N
XLogP13.04
TPSA648.81 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds63
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003298.84
LogP ≤ 513.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 59000717
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000730
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751
2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 59000736
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]acetamide
CID 59000720
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190300
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190184
2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 143257120
2-[4-[4-fluoro-2-(2-piperazin-1-ylethoxy)pyrimidin-5-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide
CID 123382770
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (CID 158197883) is 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is CN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ncc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ncccn4)cc3)c(F)n2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1ccnc(CNC(=O)Cc2cnc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)nc3F)cc2)n1.
What is the InChIKey of 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The InChIKey is GAOFYLDBVRJXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H30FN7O2.2C25H29FN6O2.2C24H28FN7O2/c1-18-27-8-7-21(30-18)16-28-23(34)15-19-3-5-20(6-4-19)22-17-29-25(31-24(22)26)35-14-13-33-11-9-32(2)10-12-33;1-18-7-8-27-22(30-18)17-28-23(34)15-19-3-5-20(6-4-19)21-16-29-25(31-24(21)26)35-14-13-33-11-9-32(2)10-12-33;1-18-5-6-27-23(31-18)17-28-24(34)13-19-15-29-25(30-16-19)21-4-3-20(14-22(21)26)35-12-11-33-9-7-32(2)8-10-33;1-31-10-12-32(13-11-31)14-15-34-25-29-18-22(24(26)30-25)20-7-5-19(6-8-20)16-23(33)28-17-21-4-2-3-9-27-21;1-31-8-10-32(11-9-31)12-13-34-21-5-6-22(23(26)15-21)25-29-16-19(17-30-25)14-24(33)28-18-20-4-2-3-7-27-20;1-31-9-11-32(12-10-31)13-14-34-24-29-16-20(23(25)30-24)19-5-3-18(4-6-19)15-22(33)28-17-21-26-7-2-8-27-21;1-31-7-9-32(10-8-31)11-12-34-19-3-4-20(21(25)14-19)24-29-15-18(16-30-24)13-23(33)28-17-22-26-5-2-6-27-22/h3-8,17H,9-16H2,1-2H3,(H,28,34);3-8,16H,9-15,17H2,1-2H3,(H,28,34);3-6,14-16H,7-13,17H2,1-2H3,(H,28,34);2-9,18H,10-17H2,1H3,(H,28,33);2-7,15-17H,8-14,18H2,1H3,(H,28,33);2-8,16H,9-15,17H2,1H3,(H,28,33);2-6,14-16H,7-13,17H2,1H3,(H,28,33).
What are the key properties of 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide has a molecular weight of 3298.84 g/mol, XLogP of 13.04, 63 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide;2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 158197883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).