1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid

C25H25F3N4O3 — CID 155854828

IUPAC1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cncc(COC2CC3(CCN(c4cnccn4)CC3)c3ccccc32)c1
InChIInChI=1S/C23H24N4O.C2HF3O2/c1-2-6-20-19(5-1)21(28-17-18-4-3-9-24-15-18)14-23(20)7-12-27(13-8-23)22-16-25-10-11-26-22;3-2(4,5)1(6)7/h1-6,9-11,15-16,21H,7-8,12-14,17H2;(H,6,7)
InChIKeyUAECJISOSRHQIY-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.70
Rot. Bonds4

About 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid

1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid (PubChem CID 155854828) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
PubChem CID155854828
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cncc(COC2CC3(CCN(c4cnccn4)CC3)c3ccccc32)c1
InChIInChI=1S/C23H24N4O.C2HF3O2/c1-2-6-20-19(5-1)21(28-17-18-4-3-9-24-15-18)14-23(20)7-12-27(13-8-23)22-16-25-10-11-26-22;3-2(4,5)1(6)7/h1-6,9-11,15-16,21H,7-8,12-14,17H2;(H,6,7)
InChIKeyUAECJISOSRHQIY-UHFFFAOYSA-N
XLogP4.70
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155857325
N-(cyclopropylmethyl)-2-[1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155829419
3-pyrazin-2-yl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171692634
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457
8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171693195
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843975
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
(3S,5S)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155826260
1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692393
11-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171697168
N,N-diethyl-2-[1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155837322
2-[1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171689875

Frequently Asked Questions

What is the IUPAC name of 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid?
The IUPAC name of 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid (CID 155854828) is 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cncc(COC2CC3(CCN(c4cnccn4)CC3)c3ccccc32)c1.
What is the InChIKey of 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid?
The InChIKey is UAECJISOSRHQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C2HF3O2/c1-2-6-20-19(5-1)21(28-17-18-4-3-9-24-15-18)14-23(20)7-12-27(13-8-23)22-16-25-10-11-26-22;3-2(4,5)1(6)7/h1-6,9-11,15-16,21H,7-8,12-14,17H2;(H,6,7).
What are the key properties of 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid?
1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid has a molecular weight of 486.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).