5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol

C23H28N6O3 — CID 151967255

IUPAC5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol
SMILESCc1cc(N2CCC3(CC2)CN(c2nc(-c4cc(O)cc(O)c4)no2)CCN3C)ccn1
InChIInChI=1S/C23H28N6O3/c1-16-11-18(3-6-24-16)28-7-4-23(5-8-28)15-29(10-9-27(23)2)22-25-21(26-32-22)17-12-19(30)14-20(31)13-17/h3,6,11-14,30-31H,4-5,7-10,15H2,1-2H3
InChIKeyTZXSPJRBKNDZPE-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.64
Rot. Bonds3

About 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol

5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol (PubChem CID 151967255) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol
PubChem CID151967255
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol
SMILESCc1cc(N2CCC3(CC2)CN(c2nc(-c4cc(O)cc(O)c4)no2)CCN3C)ccn1
InChIInChI=1S/C23H28N6O3/c1-16-11-18(3-6-24-16)28-7-4-23(5-8-28)15-29(10-9-27(23)2)22-25-21(26-32-22)17-12-19(30)14-20(31)13-17/h3,6,11-14,30-31H,4-5,7-10,15H2,1-2H3
InChIKeyTZXSPJRBKNDZPE-UHFFFAOYSA-N
XLogP2.64
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol with MolForge

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Related Compounds

3-(3,5-dimethoxyphenyl)-5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazole
CID 137331596
tert-butyl N-[[3-methoxy-5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methylcarbamate
CID 151793262
benzyl 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 153291783
2-(3,5-dimethoxyphenyl)-5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,3,4-oxadiazole
CID 147843457
3-(3,5-dichlorophenyl)-5-[2-[(2-methyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
CID 146853047
4-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecane
CID 151712953
3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(2-methyl-4-pyridinyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100899695
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
5-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91838471
3-(3,5-dichlorophenyl)-5-[2-(2-fluoro-6-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
CID 147977020
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 133464338

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol?
The IUPAC name of 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol (CID 151967255) is 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol is Cc1cc(N2CCC3(CC2)CN(c2nc(-c4cc(O)cc(O)c4)no2)CCN3C)ccn1.
What is the InChIKey of 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol?
The InChIKey is TZXSPJRBKNDZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-11-18(3-6-24-16)28-7-4-23(5-8-28)15-29(10-9-27(23)2)22-25-21(26-32-22)17-12-19(30)14-20(31)13-17/h3,6,11-14,30-31H,4-5,7-10,15H2,1-2H3.
What are the key properties of 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol?
5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol has a molecular weight of 436.52 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 151967255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).