[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone

C24H25F3N4O3 — CID 156501843

IUPAC[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOCc1cc(C(F)(F)F)cn2cc(C(=O)C3N[C@@]4(CCNC[C@H]4O)Cc4ccccc43)nc12
InChIInChI=1S/C24H25F3N4O3/c1-34-13-15-8-16(24(25,26)27)11-31-12-18(29-22(15)31)21(33)20-17-5-3-2-4-14(17)9-23(30-20)6-7-28-10-19(23)32/h2-5,8,11-12,19-20,28,30,32H,6-7,9-10,13H2,1H3/t19-,20?,23+/m1/s1
InChIKeyZDBIYHNYDMTVDX-HUJVSABWSA-N
MW474.48 g/mol
LogP2.66
Rot. Bonds4

About [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone

[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 156501843) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID156501843
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOCc1cc(C(F)(F)F)cn2cc(C(=O)C3N[C@@]4(CCNC[C@H]4O)Cc4ccccc43)nc12
InChIInChI=1S/C24H25F3N4O3/c1-34-13-15-8-16(24(25,26)27)11-31-12-18(29-22(15)31)21(33)20-17-5-3-2-4-14(17)9-23(30-20)6-7-28-10-19(23)32/h2-5,8,11-12,19-20,28,30,32H,6-7,9-10,13H2,1H3/t19-,20?,23+/m1/s1
InChIKeyZDBIYHNYDMTVDX-HUJVSABWSA-N
XLogP2.66
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 156501843) is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is COCc1cc(C(F)(F)F)cn2cc(C(=O)C3N[C@@]4(CCNC[C@H]4O)Cc4ccccc43)nc12.
What is the InChIKey of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is ZDBIYHNYDMTVDX-HUJVSABWSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-34-13-15-8-16(24(25,26)27)11-31-12-18(29-22(15)31)21(33)20-17-5-3-2-4-14(17)9-23(30-20)6-7-28-10-19(23)32/h2-5,8,11-12,19-20,28,30,32H,6-7,9-10,13H2,1H3/t19-,20?,23+/m1/s1.
What are the key properties of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 474.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 156501843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).