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

C65H66F10N10O6 — CID 123251994

IUPAC2-[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
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5c(F)cccc5C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5-c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C35H36F3N5O3.C30H30F7N5O3/c1-24-8-7-15-43(23-24)34-40-33(35(36,37)38)32(46-34)29(44)20-25-13-14-30(39-22-25)41-16-18-42(19-17-41)31(45)21-27-11-5-6-12-28(27)26-9-3-2-4-10-26;1-18-4-3-9-42(17-18)28-39-27(30(35,36)37)26(45-28)23(43)14-19-7-8-24(38-16-19)40-10-12-41(13-11-40)25(44)15-20-21(29(32,33)34)5-2-6-22(20)31/h2-6,9-14,22,24H,7-8,15-21,23H2,1H3;2,5-8,16,18H,3-4,9-15,17H2,1H3
InChIKeyBEDLEEYOQDIZCB-UHFFFAOYSA-N
MW1273.29 g/mol
LogP12.11
Rot. Bonds15

About 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

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 (PubChem CID 123251994) has the molecular formula C65H66F10N10O6 and a molecular weight of 1273.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID123251994
Molecular FormulaC65H66F10N10O6
Molecular Weight1273.29 g/mol
Exact Mass1272.50
IUPAC Name2-[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
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5c(F)cccc5C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5-c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C35H36F3N5O3.C30H30F7N5O3/c1-24-8-7-15-43(23-24)34-40-33(35(36,37)38)32(46-34)29(44)20-25-13-14-30(39-22-25)41-16-18-42(19-17-41)31(45)21-27-11-5-6-12-28(27)26-9-3-2-4-10-26;1-18-4-3-9-42(17-18)28-39-27(30(35,36)37)26(45-28)23(43)14-19-7-8-24(38-16-19)40-10-12-41(13-11-40)25(44)15-20-21(29(32,33)34)5-2-6-22(20)31/h2-6,9-14,22,24H,7-8,15-21,23H2,1H3;2,5-8,16,18H,3-4,9-15,17H2,1H3
InChIKeyBEDLEEYOQDIZCB-UHFFFAOYSA-N
XLogP12.11
TPSA165.56 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.29
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
2-(4-phenylpiperidin-1-yl)-N-[6-[4-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207785
N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207907
N-[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208178
N-[6-[(2R)-4-[(2-fluorophenyl)carbamoyl]-2-methylpiperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212526
N-[6-[(3R)-4-[(2-fluorophenyl)carbamoyl]-3-methylpiperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212530
N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212575
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428459
2-[6-[4-[2-(2,6-Difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428461
Cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428462
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[4-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428463
1-[2-[4-(4-Chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 58428469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5c(F)cccc5C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5-c5ccccc5)CC4)nc3)o2)C1.
What is the InChIKey of 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?
The InChIKey is BEDLEEYOQDIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N5O3.C30H30F7N5O3/c1-24-8-7-15-43(23-24)34-40-33(35(36,37)38)32(46-34)29(44)20-25-13-14-30(39-22-25)41-16-18-42(19-17-41)31(45)21-27-11-5-6-12-28(27)26-9-3-2-4-10-26;1-18-4-3-9-42(17-18)28-39-27(30(35,36)37)26(45-28)23(43)14-19-7-8-24(38-16-19)40-10-12-41(13-11-40)25(44)15-20-21(29(32,33)34)5-2-6-22(20)31/h2-6,9-14,22,24H,7-8,15-21,23H2,1H3;2,5-8,16,18H,3-4,9-15,17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1273.29 g/mol, XLogP of 12.11, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123251994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).