6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide

C32H33F4N7O3 — CID 146361267

IUPAC6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCc2ncc[nH]2)n1
InChIInChI=1S/C32H33F4N7O3/c1-3-21-19-42(31(45)22-8-7-20(33)18-24(22)32(34,35)36)16-17-43(21)26-10-9-25(23-6-5-12-40-30(23)46-4-2)41-28(26)29(44)39-13-11-27-37-14-15-38-27/h5-10,12,14-15,18,21H,3-4,11,13,16-17,19H2,1-2H3,(H,37,38)(H,39,44)/t21-/m1/s1
InChIKeyFKCIRACISGNJAO-OAQYLSRUSA-N
MW639.65 g/mol
LogP5.14
Rot. Bonds10

About 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 146361267) has the molecular formula C32H33F4N7O3 and a molecular weight of 639.65 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID146361267
Molecular FormulaC32H33F4N7O3
Molecular Weight639.65 g/mol
Exact Mass639.26
IUPAC Name6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCc2ncc[nH]2)n1
InChIInChI=1S/C32H33F4N7O3/c1-3-21-19-42(31(45)22-8-7-20(33)18-24(22)32(34,35)36)16-17-43(21)26-10-9-25(23-6-5-12-40-30(23)46-4-2)41-28(26)29(44)39-13-11-27-37-14-15-38-27/h5-10,12,14-15,18,21H,3-4,11,13,16-17,19H2,1-2H3,(H,37,38)(H,39,44)/t21-/m1/s1
InChIKeyFKCIRACISGNJAO-OAQYLSRUSA-N
XLogP5.14
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.65
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 146361267) is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide is CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCc2ncc[nH]2)n1.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is FKCIRACISGNJAO-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H33F4N7O3/c1-3-21-19-42(31(45)22-8-7-20(33)18-24(22)32(34,35)36)16-17-43(21)26-10-9-25(23-6-5-12-40-30(23)46-4-2)41-28(26)29(44)39-13-11-27-37-14-15-38-27/h5-10,12,14-15,18,21H,3-4,11,13,16-17,19H2,1-2H3,(H,37,38)(H,39,44)/t21-/m1/s1.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 639.65 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 146361267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).