3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

C24H24FN5O2 — CID 71482083

IUPAC3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
SMILESC[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(Cc3ccc(F)cn3)C(=O)O2)C1
InChIInChI=1S/C24H24FN5O2/c1-23(14-30-16-28-20-6-3-17(10-26)9-21(20)30)7-2-8-24(13-23)15-29(22(31)32-24)12-19-5-4-18(25)11-27-19/h3-6,9,11,16H,2,7-8,12-15H2,1H3/t23-,24-/m0/s1
InChIKeyQQWOGSKUINIHMG-ZEQRLZLVSA-N
MW433.49 g/mol
LogP4.41
Rot. Bonds4

About 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile (PubChem CID 71482083) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
PubChem CID71482083
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
SMILESC[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(Cc3ccc(F)cn3)C(=O)O2)C1
InChIInChI=1S/C24H24FN5O2/c1-23(14-30-16-28-20-6-3-17(10-26)9-21(20)30)7-2-8-24(13-23)15-29(22(31)32-24)12-19-5-4-18(25)11-27-19/h3-6,9,11,16H,2,7-8,12-15H2,1H3/t23-,24-/m0/s1
InChIKeyQQWOGSKUINIHMG-ZEQRLZLVSA-N
XLogP4.41
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile (CID 71482083) is 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile is C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(Cc3ccc(F)cn3)C(=O)O2)C1.
What is the InChIKey of 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile?
The InChIKey is QQWOGSKUINIHMG-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-23(14-30-16-28-20-6-3-17(10-26)9-21(20)30)7-2-8-24(13-23)15-29(22(31)32-24)12-19-5-4-18(25)11-27-19/h3-6,9,11,16H,2,7-8,12-15H2,1H3/t23-,24-/m0/s1.
What are the key properties of 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile?
3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile has a molecular weight of 433.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5S,7S)-3-[(5-fluoro-2-pyridinyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 71482083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).