[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

C24H27N5O2 — CID 164629635

IUPAC[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCc1nnc([C@@H]2CC3(CCN(C(=O)c4cccnc4)CC3)CN2Cc2ccccc2)o1
InChIInChI=1S/C24H27N5O2/c1-18-26-27-22(31-18)21-14-24(17-29(21)16-19-6-3-2-4-7-19)9-12-28(13-10-24)23(30)20-8-5-11-25-15-20/h2-8,11,15,21H,9-10,12-14,16-17H2,1H3/t21-/m0/s1
InChIKeyFMZLSMQDLZUFRT-NRFANRHFSA-N
MW417.51 g/mol
LogP3.64
Rot. Bonds4

About [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (PubChem CID 164629635) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
PubChem CID164629635
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCc1nnc([C@@H]2CC3(CCN(C(=O)c4cccnc4)CC3)CN2Cc2ccccc2)o1
InChIInChI=1S/C24H27N5O2/c1-18-26-27-22(31-18)21-14-24(17-29(21)16-19-6-3-2-4-7-19)9-12-28(13-10-24)23(30)20-8-5-11-25-15-20/h2-8,11,15,21H,9-10,12-14,16-17H2,1H3/t21-/m0/s1
InChIKeyFMZLSMQDLZUFRT-NRFANRHFSA-N
XLogP3.64
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (CID 164629635) is [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is Cc1nnc([C@@H]2CC3(CCN(C(=O)c4cccnc4)CC3)CN2Cc2ccccc2)o1.
What is the InChIKey of [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is FMZLSMQDLZUFRT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-26-27-22(31-18)21-14-24(17-29(21)16-19-6-3-2-4-7-19)9-12-28(13-10-24)23(30)20-8-5-11-25-15-20/h2-8,11,15,21H,9-10,12-14,16-17H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 417.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 164629635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).