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

C104H125FN14O6S — CID 157122467

IUPACN-(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
SMILESCS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1
InChIInChI=1S/C27H33N3O3S.C27H33N3O.C26H31FN4O.C24H28N4O/c1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(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;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;20-,23-;18-,19-;/m.11./s1
InChIKeyAIDDVKHTCMQFAH-FKUZAHSCSA-N
MW1718.30 g/mol
LogP17.95
Rot. Bonds32

About 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

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 (PubChem CID 157122467) has the molecular formula C104H125FN14O6S and a molecular weight of 1718.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157122467
Molecular FormulaC104H125FN14O6S
Molecular Weight1718.30 g/mol
Exact Mass1716.96
IUPAC NameN-(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
SMILESCS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1
InChIInChI=1S/C27H33N3O3S.C27H33N3O.C26H31FN4O.C24H28N4O/c1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(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;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;20-,23-;18-,19-;/m.11./s1
InChIKeyAIDDVKHTCMQFAH-FKUZAHSCSA-N
XLogP17.95
TPSA263.99 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.30
LogP ≤ 517.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199578
4-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199585
2-Fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199623
5-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-hydroxybenzenesulfonamide
CID 58199640
4-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199650
4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199733
4-[3-[4-[3-[[Ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol
CID 58199803
N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199825
4-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199840
[5-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-hydroxyphenyl] sulfamate
CID 58199844
N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199866
[4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-hydroxyphenyl] sulfamate
CID 58199879

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)[C@H](C)CN1.C[C@@H]1CNCC[C@H]1CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.Oc1ccc(CCCc2nccc(-c3cccc(CN4CCNCC4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is AIDDVKHTCMQFAH-FKUZAHSCSA-N. The full InChI is InChI=1S/C27H33N3O3S.C27H33N3O.C26H31FN4O.C24H28N4O/c1-34(32,33)30(19-22-6-2-3-7-22)20-23-9-4-10-24(18-23)26-16-17-28-27(29-26)11-5-8-21-12-14-25(31)15-13-21;1-20-19-28-16-14-23(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;1-18-16-31(19(2)15-29-18)17-21-8-11-24(27)23(14-21)25-12-13-28-26(30-25)5-3-4-20-6-9-22(32)10-7-20;29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h4,9-10,12-18,22,31H,2-3,5-8,11,19-20H2,1H3;2,5-6,9-10,12-13,15,17-18,20,23,28,31H,3-4,7-8,11,14,16,19H2,1H3;6-14,18-19,29,32H,3-5,15-17H2,1-2H3;1,4-5,7-12,17,25,29H,2-3,6,13-16,18H2/t;20-,23-;18-,19-;/m.11./s1.
What are the key properties of 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?
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 has a molecular weight of 1718.30 g/mol, XLogP of 17.95, 32 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157122467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).