(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

C56H56F8N8O6 — CID 158137649

IUPAC(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/2C28H28F4N4O3/c2*1-18(36-13-11-35(2)12-14-36)27(38)34-24-16-20(8-10-26(24)39-28(30,31)32)25(37)15-19-7-9-23(33-17-19)21-5-3-4-6-22(21)29/h2*3-10,16-18H,11-15H2,1-2H3,(H,34,38)/t2*18-/m10/s1
InChIKeyFTNWSRDSESALSB-JJMXQKMNSA-N
MW1089.10 g/mol
LogP9.57
Rot. Bonds16

About (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 158137649) has the molecular formula C56H56F8N8O6 and a molecular weight of 1089.10 g/mol. Its IUPAC name is (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID158137649
Molecular FormulaC56H56F8N8O6
Molecular Weight1089.10 g/mol
Exact Mass1088.42
IUPAC Name(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/2C28H28F4N4O3/c2*1-18(36-13-11-35(2)12-14-36)27(38)34-24-16-20(8-10-26(24)39-28(30,31)32)25(37)15-19-7-9-23(33-17-19)21-5-3-4-6-22(21)29/h2*3-10,16-18H,11-15H2,1-2H3,(H,34,38)/t2*18-/m10/s1
InChIKeyFTNWSRDSESALSB-JJMXQKMNSA-N
XLogP9.57
TPSA149.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.10
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide with MolForge

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Related Compounds

4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
CID 10250531
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide;2,2,2-trifluoroacetic acid
CID 44536223
N-[1-(dimethylamino)propan-2-yl]-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(2-phenylethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide;2,2,2-trifluoroacetic acid
CID 44536323
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710273
5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710337
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710486
N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710494
5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710605

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 158137649) is (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCN(C)CC1.
What is the InChIKey of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is FTNWSRDSESALSB-JJMXQKMNSA-N. The full InChI is InChI=1S/2C28H28F4N4O3/c2*1-18(36-13-11-35(2)12-14-36)27(38)34-24-16-20(8-10-26(24)39-28(30,31)32)25(37)15-19-7-9-23(33-17-19)21-5-3-4-6-22(21)29/h2*3-10,16-18H,11-15H2,1-2H3,(H,34,38)/t2*18-/m10/s1.
What are the key properties of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 1089.10 g/mol, XLogP of 9.57, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 158137649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).