[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

C21H26N6O2 — CID 164698862

IUPAC[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESCn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@]4(CNCC[C@@H]4O)C3)cn12
InChIInChI=1S/C21H26N6O2/c1-25-10-2-4-16(25)19-24-23-18-6-5-15(12-27(18)19)20(29)26-11-3-8-21(14-26)13-22-9-7-17(21)28/h2,4-6,10,12,17,22,28H,3,7-9,11,13-14H2,1H3/t17-,21-/m0/s1
InChIKeyHJBHZNARJNBGKS-UWJYYQICSA-N
MW394.48 g/mol
LogP1.31
Rot. Bonds2

About [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (PubChem CID 164698862) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
PubChem CID164698862
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESCn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@]4(CNCC[C@@H]4O)C3)cn12
InChIInChI=1S/C21H26N6O2/c1-25-10-2-4-16(25)19-24-23-18-6-5-15(12-27(18)19)20(29)26-11-3-8-21(14-26)13-22-9-7-17(21)28/h2,4-6,10,12,17,22,28H,3,7-9,11,13-14H2,1H3/t17-,21-/m0/s1
InChIKeyHJBHZNARJNBGKS-UWJYYQICSA-N
XLogP1.31
TPSA87.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 162628007
5-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157017032
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 157018139
[(2S,3R)-2,3-dimethyl-4-methylsulfonylpiperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 169420570
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride
CID 171317269
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164688914
(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689099
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-4-(1,2,4-triazol-1-yl)butan-1-one;hydrochloride
CID 171317206
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56741124
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585731

Frequently Asked Questions

What is the IUPAC name of [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The IUPAC name of [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (CID 164698862) is [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The canonical SMILES for [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@]4(CNCC[C@@H]4O)C3)cn12.
What is the InChIKey of [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The InChIKey is HJBHZNARJNBGKS-UWJYYQICSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-10-2-4-16(25)19-24-23-18-6-5-15(12-27(18)19)20(29)26-11-3-8-21(14-26)13-22-9-7-17(21)28/h2,4-6,10,12,17,22,28H,3,7-9,11,13-14H2,1H3/t17-,21-/m0/s1.
What are the key properties of [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is sourced from PubChem (CID 164698862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).