7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol

C17H19F3N4O — CID 168920716

IUPAC7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol
SMILESOC1(C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CCn2cncc21
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-2-1-13(9-22-14)23-6-3-12(4-7-23)16(25)5-8-24-11-21-10-15(16)24/h1-2,9-12,25H,3-8H2
InChIKeyNVCPAZUPAPQQQF-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.80
Rot. Bonds2

About 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol

7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol (PubChem CID 168920716) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol.

Molecular Properties

Compound Name7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol
PubChem CID168920716
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol
SMILESOC1(C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CCn2cncc21
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-2-1-13(9-22-14)23-6-3-12(4-7-23)16(25)5-8-24-11-21-10-15(16)24/h1-2,9-12,25H,3-8H2
InChIKeyNVCPAZUPAPQQQF-UHFFFAOYSA-N
XLogP2.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol?
The IUPAC name of 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol (CID 168920716) is 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol.
What is the SMILES notation for 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol?
The canonical SMILES for 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol is OC1(C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CCn2cncc21.
What is the InChIKey of 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol?
The InChIKey is NVCPAZUPAPQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)14-2-1-13(9-22-14)23-6-3-12(4-7-23)16(25)5-8-24-11-21-10-15(16)24/h1-2,9-12,25H,3-8H2.
What are the key properties of 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol?
7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol has a molecular weight of 352.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol is sourced from PubChem (CID 168920716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).