[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid

C24H26F3N3O4 — CID 155843652

IUPAC[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2.C2HF3O2/c26-21(20-8-4-14-27-20)24-12-9-22(10-13-24)16-25(17-5-3-11-23-15-17)19-7-2-1-6-18(19)22;3-2(4,5)1(6)7/h1-3,5-7,11,15,20H,4,8-10,12-14,16H2;(H,6,7)/t20-;/m1./s1
InChIKeySQOBSELJNBHIDT-VEIFNGETSA-N
MW477.48 g/mol
LogP3.91
Rot. Bonds2

About [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid

[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155843652) has the molecular formula C24H26F3N3O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155843652
Molecular FormulaC24H26F3N3O4
Molecular Weight477.48 g/mol
Exact Mass477.19
IUPAC Name[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2.C2HF3O2/c26-21(20-8-4-14-27-20)24-12-9-22(10-13-24)16-25(17-5-3-11-23-15-17)19-7-2-1-6-18(19)22;3-2(4,5)1(6)7/h1-3,5-7,11,15,20H,4,8-10,12-14,16H2;(H,6,7)/t20-;/m1./s1
InChIKeySQOBSELJNBHIDT-VEIFNGETSA-N
XLogP3.91
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1'-(oxolane-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71502967
(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 134077665
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
9-(oxolan-3-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155841747
[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 133141048
(3aS,7aS)-1-(oxolane-2-carbonyl)-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 127022065
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
2-[1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171689875
9-cyclopropylsulfonyl-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743823
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid (CID 155843652) is [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12.
What is the InChIKey of [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is SQOBSELJNBHIDT-VEIFNGETSA-N. The full InChI is InChI=1S/C22H25N3O2.C2HF3O2/c26-21(20-8-4-14-27-20)24-12-9-22(10-13-24)16-25(17-5-3-11-23-15-17)19-7-2-1-6-18(19)22;3-2(4,5)1(6)7/h1-3,5-7,11,15,20H,4,8-10,12-14,16H2;(H,6,7)/t20-;/m1./s1.
What are the key properties of [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid?
[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 477.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).