3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

C18H18N6O2 — CID 167542563

IUPAC3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCCCn1nc(-c2cc(-c3noc(C)n3)ccn2)c2ncccc21
InChIInChI=1S/C18H18N6O2/c1-12-21-18(23-26-12)13-6-8-19-14(11-13)16-17-15(5-3-7-20-17)24(22-16)9-4-10-25-2/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyBJOMAJOIXMBRCN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.89
Rot. Bonds6

About 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 167542563) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
PubChem CID167542563
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCCCn1nc(-c2cc(-c3noc(C)n3)ccn2)c2ncccc21
InChIInChI=1S/C18H18N6O2/c1-12-21-18(23-26-12)13-6-8-19-14(11-13)16-17-15(5-3-7-20-17)24(22-16)9-4-10-25-2/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyBJOMAJOIXMBRCN-UHFFFAOYSA-N
XLogP2.89
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (CID 167542563) is 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is COCCCn1nc(-c2cc(-c3noc(C)n3)ccn2)c2ncccc21.
What is the InChIKey of 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BJOMAJOIXMBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-21-18(23-26-12)13-6-8-19-14(11-13)16-17-15(5-3-7-20-17)24(22-16)9-4-10-25-2/h3,5-8,11H,4,9-10H2,1-2H3.
What are the key properties of 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 350.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 167542563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).