5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole

C86H96BrCl2N13O4 — CID 159039061

IUPAC5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole
SMILESCC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1
InChIInChI=1S/C30H37ClN4O2.C29H28BrClN4O2.C27H31N5/c1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25/h4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3/t;;20-/m..0/s1
InChIKeyJVVBLBRKJLJOIS-RHUCVIPUSA-N
MW1526.61 g/mol
LogP17.24
Rot. Bonds25

About 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole

5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole (PubChem CID 159039061) has the molecular formula C86H96BrCl2N13O4 and a molecular weight of 1526.61 g/mol. Its IUPAC name is 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole
PubChem CID159039061
Molecular FormulaC86H96BrCl2N13O4
Molecular Weight1526.61 g/mol
Exact Mass1523.63
IUPAC Name5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole
SMILESCC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1
InChIInChI=1S/C30H37ClN4O2.C29H28BrClN4O2.C27H31N5/c1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25/h4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3/t;;20-/m..0/s1
InChIKeyJVVBLBRKJLJOIS-RHUCVIPUSA-N
XLogP17.24
TPSA205.61 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.61
LogP ≤ 517.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole 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

5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole
CID 157199633
CID 157936039
CID 157936039
5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole
CID 158425923
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;1-fluoro-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylnaphthalene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-5-propan-2-ylpyridin-2-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylcyclohexa-2,4-dien-1-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158600059
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;2-methyl-5-propan-2-ylphenol;2-methyl-5-propan-2-ylpyridine;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-ylcyclohexa-2,4-dien-1-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 160378849
5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 161551037
CID 162136585
CID 162136585
CID 162254557
CID 162254557
6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 157306006
5-bromo-N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(1H-indol-5-yl)ethyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine;N-[2-(1H-indol-5-yl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[2-[[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 158198703
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
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]aniline;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
CID 158933937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole?
The IUPAC name of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole (CID 159039061) is 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole.
What is the SMILES notation for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole?
The canonical SMILES for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole is CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1.
What is the InChIKey of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole?
The InChIKey is JVVBLBRKJLJOIS-RHUCVIPUSA-N. The full InChI is InChI=1S/C30H37ClN4O2.C29H28BrClN4O2.C27H31N5/c1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25/h4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3/t;;20-/m..0/s1.
What are the key properties of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole?
5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole has a molecular weight of 1526.61 g/mol, XLogP of 17.24, 25 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole is sourced from PubChem (CID 159039061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).