[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone

C22H23N5O2 — CID 164635171

IUPAC[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC3(C[C@@H](c4nnc(-c5ccccc5)o4)N(C)C3)C2)n1
InChIInChI=1S/C22H23N5O2/c1-15-7-6-10-17(23-15)21(28)27-13-22(14-27)11-18(26(2)12-22)20-25-24-19(29-20)16-8-4-3-5-9-16/h3-10,18H,11-14H2,1-2H3/t18-/m0/s1
InChIKeyDNYQLPFTOBDFTG-SFHVURJKSA-N
MW389.46 g/mol
LogP2.96
Rot. Bonds3

About [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone

[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 164635171) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID164635171
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC3(C[C@@H](c4nnc(-c5ccccc5)o4)N(C)C3)C2)n1
InChIInChI=1S/C22H23N5O2/c1-15-7-6-10-17(23-15)21(28)27-13-22(14-27)11-18(26(2)12-22)20-25-24-19(29-20)16-8-4-3-5-9-16/h3-10,18H,11-14H2,1-2H3/t18-/m0/s1
InChIKeyDNYQLPFTOBDFTG-SFHVURJKSA-N
XLogP2.96
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone (CID 164635171) is [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC3(C[C@@H](c4nnc(-c5ccccc5)o4)N(C)C3)C2)n1.
What is the InChIKey of [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is DNYQLPFTOBDFTG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-7-6-10-17(23-15)21(28)27-13-22(14-27)11-18(26(2)12-22)20-25-24-19(29-20)16-8-4-3-5-9-16/h3-10,18H,11-14H2,1-2H3/t18-/m0/s1.
What are the key properties of [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 164635171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).