2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane

C153H184F3N23O2S — CID 158017896

IUPAC2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane
SMILESCCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1)C1CCNCC1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)ccc3F)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)c2)c1.C[C@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.c1cc(CN2CCCNCC2)cc(-c2ccnc(CCCc3cccs3)n2)c1
InChIInChI=1S/C27H33N3O.C26H31FN4.C26H33N5.C26H31N3O.C25H28F2N4.C23H28N4S/c1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-2-24-18-28-14-15-31(24)19-21-8-3-9-22(16-21)25-12-13-29-26(30-25)11-5-7-20-6-4-10-23(27)17-20;1-2-31(24-11-16-28-17-12-24)20-22-6-3-7-23(19-22)25-13-18-29-26(30-25)8-4-5-21-9-14-27-15-10-21;1-20-18-27-14-15-29(20)19-22-5-2-6-23(16-22)24-12-13-28-25(17-24)7-3-4-21-8-10-26(30)11-9-21;1-18-16-28-12-13-31(18)17-19-4-2-6-21(14-19)24-10-11-29-25(30-24)7-3-5-20-15-22(26)8-9-23(20)27;1-5-19(18-27-14-4-11-24-13-15-27)17-20(6-1)22-10-12-25-23(26-22)9-2-7-21-8-3-16-28-21/h2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;3-4,6,8-10,12-13,16-17,24,28H,2,5,7,11,14-15,18-19H2,1H3;3,6-7,9-10,13-15,18-19,24,28H,2,4-5,8,11-12,16-17,20H2,1H3;2,5-6,8-13,16-17,20,27,30H,3-4,7,14-15,18-19H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;1,3,5-6,8,10,12,16-17,24H,2,4,7,9,11,13-15,18H2/t20-,23+;;;20-;18-;/m0..00./s1
InChIKeyFFRSIJJTQZJLDD-BFZSBCGSSA-N
MW2466.37 g/mol
LogP27.12
Rot. Bonds46

About 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane

2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane (PubChem CID 158017896) has the molecular formula C153H184F3N23O2S and a molecular weight of 2466.37 g/mol. Its IUPAC name is 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane.

Molecular Properties

Compound Name2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane
PubChem CID158017896
Molecular FormulaC153H184F3N23O2S
Molecular Weight2466.37 g/mol
Exact Mass2464.47
IUPAC Name2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane
SMILESCCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1)C1CCNCC1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)ccc3F)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)c2)c1.C[C@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.c1cc(CN2CCCNCC2)cc(-c2ccnc(CCCc3cccs3)n2)c1
InChIInChI=1S/C27H33N3O.C26H31FN4.C26H33N5.C26H31N3O.C25H28F2N4.C23H28N4S/c1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-2-24-18-28-14-15-31(24)19-21-8-3-9-22(16-21)25-12-13-29-26(30-25)11-5-7-20-6-4-10-23(27)17-20;1-2-31(24-11-16-28-17-12-24)20-22-6-3-7-23(19-22)25-13-18-29-26(30-25)8-4-5-21-9-14-27-15-10-21;1-20-18-27-14-15-29(20)19-22-5-2-6-23(16-22)24-12-13-28-25(17-24)7-3-4-21-8-10-26(30)11-9-21;1-18-16-28-12-13-31(18)17-19-4-2-6-21(14-19)24-10-11-29-25(30-24)7-3-5-20-15-22(26)8-9-23(20)27;1-5-19(18-27-14-4-11-24-13-15-27)17-20(6-1)22-10-12-25-23(26-22)9-2-7-21-8-3-16-28-21/h2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;3-4,6,8-10,12-13,16-17,24,28H,2,5,7,11,14-15,18-19H2,1H3;3,6-7,9-10,13-15,18-19,24,28H,2,4-5,8,11-12,16-17,20H2,1H3;2,5-6,8-13,16-17,20,27,30H,3-4,7,14-15,18-19H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;1,3,5-6,8,10,12,16-17,24H,2,4,7,9,11,13-15,18H2/t20-,23+;;;20-;18-;/m0..00./s1
InChIKeyFFRSIJJTQZJLDD-BFZSBCGSSA-N
XLogP27.12
TPSA283.52 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.37
LogP ≤ 527.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane with MolForge

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Related Compounds

4-[2-[[4-[3-[[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-piperazin-1-ylmethyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292662
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877
CID 160594249
CID 160594249
4-[2-[[4-[3-[[2-(aminomethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157061495
2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157085053
2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;4-[3-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine
CID 157099338
CID 157108301
CID 157108301
N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol
CID 157122467
5-(3-Methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methoxyphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine
CID 157215508
N-(cyclopentylmethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidine;4-[3-[4-[3-[(4-propylcyclohexyl)amino]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157241823
N-(cyclopentylmethyl)-N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;4-[3-[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157338973
2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylazetidin-3-amine;4-[3-[4-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157355106

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane?
The IUPAC name of 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane (CID 158017896) is 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane.
What is the SMILES notation for 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane?
The canonical SMILES for 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane is CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1)C1CCNCC1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)ccc3F)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)c2)c1.C[C@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.c1cc(CN2CCCNCC2)cc(-c2ccnc(CCCc3cccs3)n2)c1.
What is the InChIKey of 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane?
The InChIKey is FFRSIJJTQZJLDD-BFZSBCGSSA-N. The full InChI is InChI=1S/C27H33N3O.C26H31FN4.C26H33N5.C26H31N3O.C25H28F2N4.C23H28N4S/c1-20-19-28-16-14-23(20)11-8-22-5-2-6-24(18-22)26-15-17-29-27(30-26)7-3-4-21-9-12-25(31)13-10-21;1-2-24-18-28-14-15-31(24)19-21-8-3-9-22(16-21)25-12-13-29-26(30-25)11-5-7-20-6-4-10-23(27)17-20;1-2-31(24-11-16-28-17-12-24)20-22-6-3-7-23(19-22)25-13-18-29-26(30-25)8-4-5-21-9-14-27-15-10-21;1-20-18-27-14-15-29(20)19-22-5-2-6-23(16-22)24-12-13-28-25(17-24)7-3-4-21-8-10-26(30)11-9-21;1-18-16-28-12-13-31(18)17-19-4-2-6-21(14-19)24-10-11-29-25(30-24)7-3-5-20-15-22(26)8-9-23(20)27;1-5-19(18-27-14-4-11-24-13-15-27)17-20(6-1)22-10-12-25-23(26-22)9-2-7-21-8-3-16-28-21/h2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;3-4,6,8-10,12-13,16-17,24,28H,2,5,7,11,14-15,18-19H2,1H3;3,6-7,9-10,13-15,18-19,24,28H,2,4-5,8,11-12,16-17,20H2,1H3;2,5-6,8-13,16-17,20,27,30H,3-4,7,14-15,18-19H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;1,3,5-6,8,10,12,16-17,24H,2,4,7,9,11,13-15,18H2/t20-,23+;;;20-;18-;/m0..00./s1.
What are the key properties of 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane?
2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane has a molecular weight of 2466.37 g/mol, XLogP of 27.12, 46 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;N-ethyl-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]propyl]phenol;4-[3-[4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidin-2-yl]propyl]phenol;1-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane is sourced from PubChem (CID 158017896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).