[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

C24H29F3N4O3 — CID 156501938

IUPAC[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC[C@H]1C[C@@H](C(F)(F)F)Cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc21
InChIInChI=1S/C24H29F3N4O3/c1-34-14-17-8-18(24(25,26)27)11-31-12-19(29-21(17)31)22(33)30-7-6-23(20(32)13-30)9-15-4-2-3-5-16(15)10-28-23/h2-5,12,17-18,20,28,32H,6-11,13-14H2,1H3/t17-,18-,20-,23+/m1/s1
InChIKeyOWHXIWFNZPFQPJ-MYJYVVNQSA-N
MW478.52 g/mol
LogP2.49
Rot. Bonds3

About [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 156501938) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID156501938
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC[C@H]1C[C@@H](C(F)(F)F)Cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc21
InChIInChI=1S/C24H29F3N4O3/c1-34-14-17-8-18(24(25,26)27)11-31-12-19(29-21(17)31)22(33)30-7-6-23(20(32)13-30)9-15-4-2-3-5-16(15)10-28-23/h2-5,12,17-18,20,28,32H,6-11,13-14H2,1H3/t17-,18-,20-,23+/m1/s1
InChIKeyOWHXIWFNZPFQPJ-MYJYVVNQSA-N
XLogP2.49
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (CID 156501938) is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is COC[C@H]1C[C@@H](C(F)(F)F)Cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc21.
What is the InChIKey of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is OWHXIWFNZPFQPJ-MYJYVVNQSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-34-14-17-8-18(24(25,26)27)11-31-12-19(29-21(17)31)22(33)30-7-6-23(20(32)13-30)9-15-4-2-3-5-16(15)10-28-23/h2-5,12,17-18,20,28,32H,6-11,13-14H2,1H3/t17-,18-,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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 2.49, 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]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 156501938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).