(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone

C14H14F3N5O — CID 69008552

IUPAC(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3cc(C(F)(F)F)ccn3)cn2)C1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)9-1-3-19-12(5-9)22-7-11(20-8-22)13(23)21-4-2-10(18)6-21/h1,3,5,7-8,10H,2,4,6,18H2
InChIKeyLFVWNPLKQROKJR-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.46
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone

(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone (PubChem CID 69008552) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone
PubChem CID69008552
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3cc(C(F)(F)F)ccn3)cn2)C1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)9-1-3-19-12(5-9)22-7-11(20-8-22)13(23)21-4-2-10(18)6-21/h1,3,5,7-8,10H,2,4,6,18H2
InChIKeyLFVWNPLKQROKJR-UHFFFAOYSA-N
XLogP1.46
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-yl-2-pyridinyl)cyclohexyl]methyl]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone
CID 159625715
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone (CID 69008552) is (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone is NC1CCN(C(=O)c2cn(-c3cc(C(F)(F)F)ccn3)cn2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone?
The InChIKey is LFVWNPLKQROKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)9-1-3-19-12(5-9)22-7-11(20-8-22)13(23)21-4-2-10(18)6-21/h1,3,5,7-8,10H,2,4,6,18H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone?
(3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone has a molecular weight of 325.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]methanone is sourced from PubChem (CID 69008552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).