1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

C190H232F6N14O23 — CID 161158752

IUPAC1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCOCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C34H44FN3O4.C34H43FN2O4.C33H41FN2O5.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4/c1-5-40-31-10-11-33(34(22-31)41-17-16-38-14-12-37(4)13-15-38)27-7-8-29(36-23-27)21-30(39)9-6-26-18-28(35)20-32(19-26)42-24-25(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-4-39-30-9-10-32(33(21-30)40-16-13-36-11-14-38-15-12-36)26-6-7-28(35-22-26)20-29(37)8-5-25-17-27(34)19-31(18-25)41-23-24(2)3;1-3-36-28-11-12-29(30(21-28)37-18-17-34-15-13-33(2)14-16-34)24-8-9-26(32-22-24)20-27(35)10-7-23-5-4-6-25(31)19-23;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,18-20,22-23,25H,5-6,9,12-17,21,24H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;6-7,9-10,17-19,21-22,24H,4-5,8,11-16,20,23H2,1-3H3;4-6,8-9,11-12,19,21-22H,3,7,10,13-18,20H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3
InChIKeyUPQMHFQSETYZFH-UHFFFAOYSA-N
MW3194.01 g/mol
LogP33.69
Rot. Bonds81

About 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (PubChem CID 161158752) has the molecular formula C190H232F6N14O23 and a molecular weight of 3194.01 g/mol. Its IUPAC name is 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
PubChem CID161158752
Molecular FormulaC190H232F6N14O23
Molecular Weight3194.01 g/mol
Exact Mass3191.73
IUPAC Name1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCOCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C34H44FN3O4.C34H43FN2O4.C33H41FN2O5.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4/c1-5-40-31-10-11-33(34(22-31)41-17-16-38-14-12-37(4)13-15-38)27-7-8-29(36-23-27)21-30(39)9-6-26-18-28(35)20-32(19-26)42-24-25(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-4-39-30-9-10-32(33(21-30)40-16-13-36-11-14-38-15-12-36)26-6-7-28(35-22-26)20-29(37)8-5-25-17-27(34)19-31(18-25)41-23-24(2)3;1-3-36-28-11-12-29(30(21-28)37-18-17-34-15-13-33(2)14-16-34)24-8-9-26(32-22-24)20-27(35)10-7-23-5-4-6-25(31)19-23;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,18-20,22-23,25H,5-6,9,12-17,21,24H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;6-7,9-10,17-19,21-22,24H,4-5,8,11-16,20,23H2,1-3H3;4-6,8-9,11-12,19,21-22H,3,7,10,13-18,20H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3
InChIKeyUPQMHFQSETYZFH-UHFFFAOYSA-N
XLogP33.69
TPSA362.59 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds81
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003194.01
LogP ≤ 533.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 159791521
1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 157398411
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
CID 157296923
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
1-[2-[[3-(4-ethoxyphenyl)-6-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]oxy]ethyl]-4-methylpiperazine
CID 143708413
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
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 158405821
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
CID 143708409
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The IUPAC name of 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (CID 161158752) is 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The canonical SMILES for 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCOCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The InChIKey is UPQMHFQSETYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44FN3O4.C34H43FN2O4.C33H41FN2O5.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4/c1-5-40-31-10-11-33(34(22-31)41-17-16-38-14-12-37(4)13-15-38)27-7-8-29(36-23-27)21-30(39)9-6-26-18-28(35)20-32(19-26)42-24-25(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-4-39-30-9-10-32(33(21-30)40-16-13-36-11-14-38-15-12-36)26-6-7-28(35-22-26)20-29(37)8-5-25-17-27(34)19-31(18-25)41-23-24(2)3;1-3-36-28-11-12-29(30(21-28)37-18-17-34-15-13-33(2)14-16-34)24-8-9-26(32-22-24)20-27(35)10-7-23-5-4-6-25(31)19-23;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,18-20,22-23,25H,5-6,9,12-17,21,24H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;6-7,9-10,17-19,21-22,24H,4-5,8,11-16,20,23H2,1-3H3;4-6,8-9,11-12,19,21-22H,3,7,10,13-18,20H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3.
What are the key properties of 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one has a molecular weight of 3194.01 g/mol, XLogP of 33.69, 81 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is sourced from PubChem (CID 161158752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).