[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

C25H30FN5O2 — CID 146504908

IUPAC[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(-c2cc(C3NNNN3)ccc2F)cc1
InChIInChI=1S/C25H30FN5O2/c26-21-8-7-18(23-27-29-30-28-23)14-19(21)16-3-5-17(6-4-16)20-15-25(20)9-11-31(12-10-25)24(32)22-2-1-13-33-22/h3-8,14,20,22-23,27-30H,1-2,9-13,15H2/t20-,22+/m0/s1
InChIKeyXACOCSDTXHCIIH-RBBKRZOGSA-N
MW451.55 g/mol
LogP2.88
Rot. Bonds4

About [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 146504908) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID146504908
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(-c2cc(C3NNNN3)ccc2F)cc1
InChIInChI=1S/C25H30FN5O2/c26-21-8-7-18(23-27-29-30-28-23)14-19(21)16-3-5-17(6-4-16)20-15-25(20)9-11-31(12-10-25)24(32)22-2-1-13-33-22/h3-8,14,20,22-23,27-30H,1-2,9-13,15H2/t20-,22+/m0/s1
InChIKeyXACOCSDTXHCIIH-RBBKRZOGSA-N
XLogP2.88
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 155439334
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
4-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-(trifluoromethyl)benzoic acid
CID 146471201
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471208

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (CID 146504908) is [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(-c2cc(C3NNNN3)ccc2F)cc1.
What is the InChIKey of [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is XACOCSDTXHCIIH-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H30FN5O2/c26-21-8-7-18(23-27-29-30-28-23)14-19(21)16-3-5-17(6-4-16)20-15-25(20)9-11-31(12-10-25)24(32)22-2-1-13-33-22/h3-8,14,20,22-23,27-30H,1-2,9-13,15H2/t20-,22+/m0/s1.
What are the key properties of [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 451.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 146504908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).