5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C19H27N7O2 — CID 120960099

IUPAC5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCOc1nn(C)c2nc(C)c(CCc3nc(C4CNCCN4C)no3)c(C)c12
InChIInChI=1S/C19H27N7O2/c1-11-13(12(2)21-18-16(11)19(27-5)23-26(18)4)6-7-15-22-17(24-28-15)14-10-20-8-9-25(14)3/h14,20H,6-10H2,1-5H3
InChIKeyYAMOWTGYNIJUIH-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.34
Rot. Bonds5

About 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120960099) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120960099
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCOc1nn(C)c2nc(C)c(CCc3nc(C4CNCCN4C)no3)c(C)c12
InChIInChI=1S/C19H27N7O2/c1-11-13(12(2)21-18-16(11)19(27-5)23-26(18)4)6-7-15-22-17(24-28-15)14-10-20-8-9-25(14)3/h14,20H,6-10H2,1-5H3
InChIKeyYAMOWTGYNIJUIH-UHFFFAOYSA-N
XLogP1.34
TPSA94.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120960686
5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956845
3-(1-methylpiperazin-2-yl)-5-[2-(2,3,4-trimethoxyphenyl)ethyl]-1,2,4-oxadiazole
CID 120960977
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442735
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959080
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
5-[2-(4-tert-butylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960505
3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120957753
5-[2-(3,4-dichlorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958835
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119561739

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120960099) is 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is COc1nn(C)c2nc(C)c(CCc3nc(C4CNCCN4C)no3)c(C)c12.
What is the InChIKey of 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YAMOWTGYNIJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-11-13(12(2)21-18-16(11)19(27-5)23-26(18)4)6-7-15-22-17(24-28-15)14-10-20-8-9-25(14)3/h14,20H,6-10H2,1-5H3.
What are the key properties of 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 385.47 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120960099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).