(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

C20H25N5O3 — CID 97130751

IUPAC(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)C1=O
InChIInChI=1S/C20H25N5O3/c1-24-11-4-8-20(19(24)27)9-12-25(14-20)17(26)7-2-6-16-22-18(23-28-16)15-5-3-10-21-13-15/h3,5,10,13H,2,4,6-9,11-12,14H2,1H3/t20-/m1/s1
InChIKeyODFNSUOHKGVPLU-HXUWFJFHSA-N
MW383.45 g/mol
LogP1.93
Rot. Bonds5

About (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97130751) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97130751
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)C1=O
InChIInChI=1S/C20H25N5O3/c1-24-11-4-8-20(19(24)27)9-12-25(14-20)17(26)7-2-6-16-22-18(23-28-16)15-5-3-10-21-13-15/h3,5,10,13H,2,4,6-9,11-12,14H2,1H3/t20-/m1/s1
InChIKeyODFNSUOHKGVPLU-HXUWFJFHSA-N
XLogP1.93
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

8a-ethyl-7-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045404
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780
1-[3-(diethylamino)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 118781507
1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86981275
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
(9aR)-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 125170224
9-methyl-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633044
1-[(3S)-3-benzylpiperidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 92574520
7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643902
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126425604

Frequently Asked Questions

What is the IUPAC name of (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97130751) is (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@]2(CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)C1=O.
What is the InChIKey of (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ODFNSUOHKGVPLU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24-11-4-8-20(19(24)27)9-12-25(14-20)17(26)7-2-6-16-22-18(23-28-16)15-5-3-10-21-13-15/h3,5,10,13H,2,4,6-9,11-12,14H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97130751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).