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

C18H21F3N4O — CID 46181353

IUPAC(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
InChIKeyVLFQGVRGNGPZNM-AWEZNQCLSA-N
MW366.39 g/mol
LogP4.37
Rot. Bonds5

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

(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 46181353) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID46181353
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
InChIKeyVLFQGVRGNGPZNM-AWEZNQCLSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 46181353) is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is VLFQGVRGNGPZNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 366.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 46181353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).