methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate

C56H58F6N8O6 — CID 159991561

IUPACmethyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(C[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1.COC(=O)CCNC(=O)c1ccc(C[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1
InChIInChI=1S/2C28H29F3N4O3/c2*1-38-25(36)12-13-32-27(37)20-8-11-23(33-15-20)14-24(18-4-2-3-5-18)21-16-34-26(35-17-21)19-6-9-22(10-7-19)28(29,30)31/h2*6-11,15-18,24H,2-5,12-14H2,1H3,(H,32,37)/t2*24-/m10/s1
InChIKeyOGZZIQUGPPXIAB-STCDVQFJSA-N
MW1053.12 g/mol
LogP10.73
Rot. Bonds18

About methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate

methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate (PubChem CID 159991561) has the molecular formula C56H58F6N8O6 and a molecular weight of 1053.12 g/mol. Its IUPAC name is methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate
PubChem CID159991561
Molecular FormulaC56H58F6N8O6
Molecular Weight1053.12 g/mol
Exact Mass1052.44
IUPAC Namemethyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(C[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1.COC(=O)CCNC(=O)c1ccc(C[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1
InChIInChI=1S/2C28H29F3N4O3/c2*1-38-25(36)12-13-32-27(37)20-8-11-23(33-15-20)14-24(18-4-2-3-5-18)21-16-34-26(35-17-21)19-6-9-22(10-7-19)28(29,30)31/h2*6-11,15-18,24H,2-5,12-14H2,1H3,(H,32,37)/t2*24-/m10/s1
InChIKeyOGZZIQUGPPXIAB-STCDVQFJSA-N
XLogP10.73
TPSA188.14 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.12
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[4-[1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]heptoxy]benzoyl]amino]propanoate
CID 67341106
methyl 3-[[6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butoxy]pyridine-3-carbonyl]amino]propanoate
CID 67980677
methyl 3-[[4-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoate
CID 67343522
methyl 3-[[4-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptyl]benzoyl]amino]propanoate
CID 67343212
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzoyl]amino]propanoate
CID 67153457
methyl 3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoate
CID 67153519
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzoyl]amino]propanoate
CID 67153601
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
methyl 3-[[4-[5-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methylpentyl]benzoyl]amino]propanoate
CID 67486259
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
3-[[4-[cyclopentyl-[[2-[4-(trifluoromethyl)phenyl]-2H-imidazol-4-yl]amino]methyl]benzoyl]amino]propanoic acid
CID 56835116

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate (CID 159991561) is methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(C[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1.COC(=O)CCNC(=O)c1ccc(C[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1.
What is the InChIKey of methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate?
The InChIKey is OGZZIQUGPPXIAB-STCDVQFJSA-N. The full InChI is InChI=1S/2C28H29F3N4O3/c2*1-38-25(36)12-13-32-27(37)20-8-11-23(33-15-20)14-24(18-4-2-3-5-18)21-16-34-26(35-17-21)19-6-9-22(10-7-19)28(29,30)31/h2*6-11,15-18,24H,2-5,12-14H2,1H3,(H,32,37)/t2*24-/m10/s1.
What are the key properties of methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate?
methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 1053.12 g/mol, XLogP of 10.73, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[(2S)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate;methyl 3-[[6-[(2R)-2-cyclopentyl-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethyl]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 159991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).