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

C25H32N6O3 — CID 147843457

IUPAC2-(3,5-dimethoxyphenyl)-5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)o2)c1
InChIInChI=1S/C25H32N6O3/c1-18-13-20(5-8-26-18)30-9-6-25(7-10-30)17-31(12-11-29(25)2)24-28-27-23(34-24)19-14-21(32-3)16-22(15-19)33-4/h5,8,13-16H,6-7,9-12,17H2,1-4H3
InChIKeyHTKUMAKQRSKFDW-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.25
Rot. Bonds5

About 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

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 (PubChem CID 147843457) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,3,4-oxadiazole
PubChem CID147843457
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-(3,5-dimethoxyphenyl)-5-[1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)o2)c1
InChIInChI=1S/C25H32N6O3/c1-18-13-20(5-8-26-18)30-9-6-25(7-10-30)17-31(12-11-29(25)2)24-28-27-23(34-24)19-14-21(32-3)16-22(15-19)33-4/h5,8,13-16H,6-7,9-12,17H2,1-4H3
InChIKeyHTKUMAKQRSKFDW-UHFFFAOYSA-N
XLogP3.25
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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
4-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-methyl-9-(2-methyl-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecane
CID 151712953
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
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
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(2-methyl-4-pyridinyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100899695
3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
2-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 135106341
2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
5-methoxy-3-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-2H-indazole
CID 56895863
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)cc(-c2nnc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)o2)c1.
What is the InChIKey of 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?
The InChIKey is HTKUMAKQRSKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-18-13-20(5-8-26-18)30-9-6-25(7-10-30)17-31(12-11-29(25)2)24-28-27-23(34-24)19-14-21(32-3)16-22(15-19)33-4/h5,8,13-16H,6-7,9-12,17H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 464.57 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147843457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).