6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile

C20H24N8OS — CID 130466209

IUPAC6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc([C@@H](O)CN2CCC3(CC2)CCN(c2nn4cnnc4s2)C3)ncc1C#N
InChIInChI=1S/C20H24N8OS/c1-14-8-16(22-10-15(14)9-21)17(29)11-26-5-2-20(3-6-26)4-7-27(12-20)19-25-28-13-23-24-18(28)30-19/h8,10,13,17,29H,2-7,11-12H2,1H3/t17-/m0/s1
InChIKeySXXGBWRIWDCJLE-KRWDZBQOSA-N
MW424.53 g/mol
LogP1.79
Rot. Bonds4

About 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile

6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile (PubChem CID 130466209) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile
PubChem CID130466209
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc([C@@H](O)CN2CCC3(CC2)CCN(c2nn4cnnc4s2)C3)ncc1C#N
InChIInChI=1S/C20H24N8OS/c1-14-8-16(22-10-15(14)9-21)17(29)11-26-5-2-20(3-6-26)4-7-27(12-20)19-25-28-13-23-24-18(28)30-19/h8,10,13,17,29H,2-7,11-12H2,1H3/t17-/m0/s1
InChIKeySXXGBWRIWDCJLE-KRWDZBQOSA-N
XLogP1.79
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
CID 130466183
5-chloro-4-[1-hydroxy-2-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-2-methylbenzonitrile
CID 130466200
6-[(1S)-1-hydroxy-2-[4-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 91439958
6-[(1S)-1-hydroxy-2-[1-oxo-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methoxypyridine-3-carbonitrile
CID 130470696
6-[1-hydroxy-2-[4-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 70833911
6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
CID 59568649
3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
CID 118197048
3-[9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-6-methylpyridazine-4-carbonitrile
CID 130388375
5-[(1R)-1-hydroxy-2-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 130466213
3-[9-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylcyclobut-3-ene-1,2-dione
CID 118196909
6-[2-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
CID 121483477
N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301769

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile (CID 130466209) is 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile is Cc1cc([C@@H](O)CN2CCC3(CC2)CCN(c2nn4cnnc4s2)C3)ncc1C#N.
What is the InChIKey of 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile?
The InChIKey is SXXGBWRIWDCJLE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-14-8-16(22-10-15(14)9-21)17(29)11-26-5-2-20(3-6-26)4-7-27(12-20)19-25-28-13-23-24-18(28)30-19/h8,10,13,17,29H,2-7,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile?
6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 424.53 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130466209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).