(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

C17H20F3N5O — CID 46181425

IUPAC(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1cnc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H20F3N5O/c1-11-7-22-15(8-21-11)24-16(26)13(6-12-4-2-3-5-12)25-9-14(23-10-25)17(18,19)20/h7-10,12-13H,2-6H2,1H3,(H,22,24,26)/t13-/m0/s1
InChIKeyOHVXZILGXHYYCW-ZDUSSCGKSA-N
MW367.38 g/mol
LogP3.76
Rot. Bonds5

About (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 46181425) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID46181425
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1cnc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H20F3N5O/c1-11-7-22-15(8-21-11)24-16(26)13(6-12-4-2-3-5-12)25-9-14(23-10-25)17(18,19)20/h7-10,12-13H,2-6H2,1H3,(H,22,24,26)/t13-/m0/s1
InChIKeyOHVXZILGXHYYCW-ZDUSSCGKSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 46181425) is (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is Cc1cnc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)cn1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is OHVXZILGXHYYCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11-7-22-15(8-21-11)24-16(26)13(6-12-4-2-3-5-12)25-9-14(23-10-25)17(18,19)20/h7-10,12-13H,2-6H2,1H3,(H,22,24,26)/t13-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 367.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 46181425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).