2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C172H168F21N25O16 — CID 159679366

IUPAC2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCOc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)C1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCCC(c3cccc(F)c3)C2)nc1C(F)(F)F
InChIInChI=1S/C35H35F4N5O4.2C35H35F4N5O3.C34H32F5N5O3.C33H31F4N5O3/c1-47-29-11-5-3-9-26(29)25-8-6-14-44(22-25)34-41-33(35(37,38)39)32(48-34)28(45)19-23-12-13-30(40-21-23)42-15-17-43(18-16-42)31(46)20-24-7-2-4-10-27(24)36;2*1-23-8-11-25(12-9-23)27-6-4-14-44(22-27)34-41-33(35(37,38)39)32(47-34)29(45)19-24-10-13-30(40-21-24)42-15-17-43(18-16-42)31(46)20-26-5-2-3-7-28(26)36;35-26-8-3-6-23(18-26)25-7-4-12-44(21-25)33-41-32(34(37,38)39)31(47-33)28(45)17-22-10-11-29(40-20-22)42-13-15-43(16-14-42)30(46)19-24-5-1-2-9-27(24)36;34-26-9-5-4-8-24(26)19-29(44)41-16-14-40(15-17-41)28-11-10-22(20-38-28)18-27(43)30-31(33(35,36)37)39-32(45-30)42-13-12-25(21-42)23-6-2-1-3-7-23/h2-5,7,9-13,21,25H,6,8,14-20,22H2,1H3;2*2-3,5,7-13,21,27H,4,6,14-20,22H2,1H3;1-3,5-6,8-11,18,20,25H,4,7,12-17,19,21H2;1-11,20,25H,12-19,21H2
InChIKeyMVADJKPHHXLUSG-UHFFFAOYSA-N
MW3240.35 g/mol
LogP30.02
Rot. Bonds41

About 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 159679366) has the molecular formula C172H168F21N25O16 and a molecular weight of 3240.35 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID159679366
Molecular FormulaC172H168F21N25O16
Molecular Weight3240.35 g/mol
Exact Mass3238.28
IUPAC Name2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCOc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)C1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCCC(c3cccc(F)c3)C2)nc1C(F)(F)F
InChIInChI=1S/C35H35F4N5O4.2C35H35F4N5O3.C34H32F5N5O3.C33H31F4N5O3/c1-47-29-11-5-3-9-26(29)25-8-6-14-44(22-25)34-41-33(35(37,38)39)32(48-34)28(45)19-23-12-13-30(40-21-23)42-15-17-43(18-16-42)31(46)20-24-7-2-4-10-27(24)36;2*1-23-8-11-25(12-9-23)27-6-4-14-44(22-27)34-41-33(35(37,38)39)32(47-34)29(45)19-24-10-13-30(40-21-24)42-15-17-43(18-16-42)31(46)20-26-5-2-3-7-28(26)36;35-26-8-3-6-23(18-26)25-7-4-12-44(21-25)33-41-32(34(37,38)39)31(47-33)28(45)17-22-10-11-29(40-20-22)42-13-15-43(16-14-42)30(46)19-24-5-1-2-9-27(24)36;34-26-9-5-4-8-24(26)19-29(44)41-16-14-40(15-17-41)28-11-10-22(20-38-28)18-27(43)30-31(33(35,36)37)39-32(45-30)42-13-12-25(21-42)23-6-2-1-3-7-23/h2-5,7,9-13,21,25H,6,8,14-20,22H2,1H3;2*2-3,5,7-13,21,27H,4,6,14-20,22H2,1H3;1-3,5-6,8-11,18,20,25H,4,7,12-17,19,21H2;1-11,20,25H,12-19,21H2
InChIKeyMVADJKPHHXLUSG-UHFFFAOYSA-N
XLogP30.02
TPSA423.13 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.35
LogP ≤ 530.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone 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-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428477
2-[6-[4-[2-(2-Methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428515
2-(4-Methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58428556
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428560
2-[6-[4-[2-(2-Methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428620
Methyl 4-[2-oxo-2-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethyl]benzoate
CID 58428799
2-[6-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428977
2-[6-[4-[2-(2-Hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429111
2-[6-[4-[2-[2-Fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 123251994
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone)
CID 123395612
2-[6-[4-[2-(2,6-Dimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(3,3-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123471107
1-[2-Cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-phenylsulfanyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123485053

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 159679366) is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is COc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)C1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Cc4ccc(N5CCN(C(=O)Cc6ccccc6F)CC5)nc4)o3)C2)cc1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCCC(c3cccc(F)c3)C2)nc1C(F)(F)F.
What is the InChIKey of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is MVADJKPHHXLUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F4N5O4.2C35H35F4N5O3.C34H32F5N5O3.C33H31F4N5O3/c1-47-29-11-5-3-9-26(29)25-8-6-14-44(22-25)34-41-33(35(37,38)39)32(48-34)28(45)19-23-12-13-30(40-21-23)42-15-17-43(18-16-42)31(46)20-24-7-2-4-10-27(24)36;2*1-23-8-11-25(12-9-23)27-6-4-14-44(22-27)34-41-33(35(37,38)39)32(47-34)29(45)19-24-10-13-30(40-21-24)42-15-17-43(18-16-42)31(46)20-26-5-2-3-7-28(26)36;35-26-8-3-6-23(18-26)25-7-4-12-44(21-25)33-41-32(34(37,38)39)31(47-33)28(45)17-22-10-11-29(40-20-22)42-13-15-43(16-14-42)30(46)19-24-5-1-2-9-27(24)36;34-26-9-5-4-8-24(26)19-29(44)41-16-14-40(15-17-41)28-11-10-22(20-38-28)18-27(43)30-31(33(35,36)37)39-32(45-30)42-13-12-25(21-42)23-6-2-1-3-7-23/h2-5,7,9-13,21,25H,6,8,14-20,22H2,1H3;2*2-3,5,7-13,21,27H,4,6,14-20,22H2,1H3;1-3,5-6,8-11,18,20,25H,4,7,12-17,19,21H2;1-11,20,25H,12-19,21H2.
What are the key properties of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 3240.35 g/mol, XLogP of 30.02, 41 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;bis(2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone);2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 159679366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).