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

C25H27F3N4O3 — CID 156532828

IUPAC[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC(C)c1cc(C(F)(F)F)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12
InChIInChI=1S/C25H27F3N4O3/c1-15(35-2)19-9-18(25(26,27)28)12-32-13-20(30-22(19)32)23(34)31-8-7-24(21(33)14-31)10-16-5-3-4-6-17(16)11-29-24/h3-6,9,12-13,15,21,29,33H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1
InChIKeyNDNDVFOJFZXKOD-DFQZUVNZSA-N
MW488.51 g/mol
LogP3.35
Rot. Bonds3

About [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 156532828) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID156532828
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC(C)c1cc(C(F)(F)F)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12
InChIInChI=1S/C25H27F3N4O3/c1-15(35-2)19-9-18(25(26,27)28)12-32-13-20(30-22(19)32)23(34)31-8-7-24(21(33)14-31)10-16-5-3-4-6-17(16)11-29-24/h3-6,9,12-13,15,21,29,33H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1
InChIKeyNDNDVFOJFZXKOD-DFQZUVNZSA-N
XLogP3.35
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-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-(1-methoxyethyl)-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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 156532828) is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-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-(1-methoxyethyl)-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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is COC(C)c1cc(C(F)(F)F)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12.
What is the InChIKey of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is NDNDVFOJFZXKOD-DFQZUVNZSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15(35-2)19-9-18(25(26,27)28)12-32-13-20(30-22(19)32)23(34)31-8-7-24(21(33)14-31)10-16-5-3-4-6-17(16)11-29-24/h3-6,9,12-13,15,21,29,33H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1.
What are the key properties of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 488.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-(1-methoxyethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 156532828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).