2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C96H102ClF6N15O2 — CID 158774923

IUPAC2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESC[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3ccc(O)cc3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F.Oc1ccc(CCCc2nccc(-c3ccc4[nH]ccc4c3)n2)cc1Cl
InChIInChI=1S/C25H27F3N4.C25H28F2N4.C25H29FN4O.C21H18ClN3O/c1-17-15-29-9-10-32(17)16-20-13-19(5-6-23(20)28)24-7-8-30-25(31-24)4-2-3-18-11-21(26)14-22(27)12-18;1-18-16-28-12-13-31(18)17-21-15-20(8-9-23(21)27)24-10-11-29-25(30-24)7-3-5-19-4-2-6-22(26)14-19;1-18-16-27-13-14-30(18)17-21-15-20(7-10-23(21)26)24-11-12-28-25(29-24)4-2-3-19-5-8-22(31)9-6-19;22-17-12-14(4-7-20(17)26)2-1-3-21-24-11-9-19(25-21)15-5-6-18-16(13-15)8-10-23-18/h5-8,11-14,17,29H,2-4,9-10,15-16H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;5-12,15,18,27,31H,2-4,13-14,16-17H2,1H3;4-13,23,26H,1-3H2/t17-;2*18-;/m000./s1
InChIKeyIQIVQHLJGLQNKF-NQZHSHPJSA-N
MW1647.42 g/mol
LogP18.04
Rot. Bonds26

About 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158774923) has the molecular formula C96H102ClF6N15O2 and a molecular weight of 1647.42 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID158774923
Molecular FormulaC96H102ClF6N15O2
Molecular Weight1647.42 g/mol
Exact Mass1645.79
IUPAC Name2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESC[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3ccc(O)cc3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F.Oc1ccc(CCCc2nccc(-c3ccc4[nH]ccc4c3)n2)cc1Cl
InChIInChI=1S/C25H27F3N4.C25H28F2N4.C25H29FN4O.C21H18ClN3O/c1-17-15-29-9-10-32(17)16-20-13-19(5-6-23(20)28)24-7-8-30-25(31-24)4-2-3-18-11-21(26)14-22(27)12-18;1-18-16-28-12-13-31(18)17-21-15-20(8-9-23(21)27)24-10-11-29-25(30-24)7-3-5-19-4-2-6-22(26)14-19;1-18-16-27-13-14-30(18)17-21-15-20(7-10-23(21)26)24-11-12-28-25(29-24)4-2-3-19-5-8-22(31)9-6-19;22-17-12-14(4-7-20(17)26)2-1-3-21-24-11-9-19(25-21)15-5-6-18-16(13-15)8-10-23-18/h5-8,11-14,17,29H,2-4,9-10,15-16H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;5-12,15,18,27,31H,2-4,13-14,16-17H2,1H3;4-13,23,26H,1-3H2/t17-;2*18-;/m000./s1
InChIKeyIQIVQHLJGLQNKF-NQZHSHPJSA-N
XLogP18.04
TPSA205.18 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001647.42
LogP ≤ 518.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168276438
2-Chloro-6-fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295994
4-[4-[[6-(3-Aminopyrrolidin-1-yl)-3-pyridinyl]amino]-3-propylquinolin-6-yl]-2-chloro-6-fluorophenol
CID 66715593
4-[4-[[6-(3-Aminopiperidin-1-yl)-3-pyridinyl]amino]-3-propylquinolin-6-yl]-2-chloro-6-fluorophenol
CID 66715657
2-Chloro-4-[3-ethyl-4-[[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
CID 118658928
2-Chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
CID 118658976
2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292563
2-chloro-4-[2-[[4-[3-[[2-(3,5-difluorophenyl)ethyl-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]-[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyrimidin-2-yl]amino]ethyl]phenol
CID 139292879
4-[4-[[2-(3-Aminopyrrolidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
CID 141424359
4-[4-[[2-(3-Aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
CID 141424408
4-[4-[[2-(4-Aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
CID 141424425
tert-butyl N-[1-[5-[[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-(3-ethyl-1H-indol-2-yl)-1,5-naphthyridin-4-yl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
CID 152069751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 158774923) is 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3ccc(O)cc3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F.Oc1ccc(CCCc2nccc(-c3ccc4[nH]ccc4c3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is IQIVQHLJGLQNKF-NQZHSHPJSA-N. The full InChI is InChI=1S/C25H27F3N4.C25H28F2N4.C25H29FN4O.C21H18ClN3O/c1-17-15-29-9-10-32(17)16-20-13-19(5-6-23(20)28)24-7-8-30-25(31-24)4-2-3-18-11-21(26)14-22(27)12-18;1-18-16-28-12-13-31(18)17-21-15-20(8-9-23(21)27)24-10-11-29-25(30-24)7-3-5-19-4-2-6-22(26)14-19;1-18-16-27-13-14-30(18)17-21-15-20(7-10-23(21)26)24-11-12-28-25(29-24)4-2-3-19-5-8-22(31)9-6-19;22-17-12-14(4-7-20(17)26)2-1-3-21-24-11-9-19(25-21)15-5-6-18-16(13-15)8-10-23-18/h5-8,11-14,17,29H,2-4,9-10,15-16H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;5-12,15,18,27,31H,2-4,13-14,16-17H2,1H3;4-13,23,26H,1-3H2/t17-;2*18-;/m000./s1.
What are the key properties of 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 1647.42 g/mol, XLogP of 18.04, 26 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158774923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).