[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone

C22H27N5O3 — CID 166614345

IUPAC[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone
SMILESCc1nc(N2CC[C@H](O)[C@@]3(CCCN(C(=O)c4cc5ccccc5n4C)C3)C2)no1
InChIInChI=1S/C22H27N5O3/c1-15-23-21(24-30-15)27-11-8-19(28)22(14-27)9-5-10-26(13-22)20(29)18-12-16-6-3-4-7-17(16)25(18)2/h3-4,6-7,12,19,28H,5,8-11,13-14H2,1-2H3/t19-,22+/m0/s1
InChIKeyHLAHCMDSNIEODL-SIKLNZKXSA-N
MW409.49 g/mol
LogP2.36
Rot. Bonds2

About [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone

[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone (PubChem CID 166614345) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone
PubChem CID166614345
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone
SMILESCc1nc(N2CC[C@H](O)[C@@]3(CCCN(C(=O)c4cc5ccccc5n4C)C3)C2)no1
InChIInChI=1S/C22H27N5O3/c1-15-23-21(24-30-15)27-11-8-19(28)22(14-27)9-5-10-26(13-22)20(29)18-12-16-6-3-4-7-17(16)25(18)2/h3-4,6-7,12,19,28H,5,8-11,13-14H2,1-2H3/t19-,22+/m0/s1
InChIKeyHLAHCMDSNIEODL-SIKLNZKXSA-N
XLogP2.36
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone with MolForge

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Related Compounds

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[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(1-methylindol-2-yl)methanone
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[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
[3-(dimethylamino)phenyl]-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699031
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164693939
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
2,3-dihydro-1,4-benzodioxin-5-yl-[(6S,11S)-11-hydroxy-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone;formic acid
CID 166598863

Frequently Asked Questions

What is the IUPAC name of [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone (CID 166614345) is [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone is Cc1nc(N2CC[C@H](O)[C@@]3(CCCN(C(=O)c4cc5ccccc5n4C)C3)C2)no1.
What is the InChIKey of [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is HLAHCMDSNIEODL-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-23-21(24-30-15)27-11-8-19(28)22(14-27)9-5-10-26(13-22)20(29)18-12-16-6-3-4-7-17(16)25(18)2/h3-4,6-7,12,19,28H,5,8-11,13-14H2,1-2H3/t19-,22+/m0/s1.
What are the key properties of [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone?
[(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 409.49 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,11S)-11-hydroxy-8-(5-methyl-1,2,4-oxadiazol-3-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 166614345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).