(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine

C17H20N6O2 — CID 167861725

IUPAC(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1C(N)c1noc(C2CNc3cnn(C)c3C2)n1
InChIInChI=1S/C17H20N6O2/c1-23-13-7-10(8-19-12(13)9-20-23)17-21-16(22-25-17)15(18)11-5-3-4-6-14(11)24-2/h3-6,9-10,15,19H,7-8,18H2,1-2H3
InChIKeyIPZVKUYIMUPMHX-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.61
Rot. Bonds4

About (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine

(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 167861725) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID167861725
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1C(N)c1noc(C2CNc3cnn(C)c3C2)n1
InChIInChI=1S/C17H20N6O2/c1-23-13-7-10(8-19-12(13)9-20-23)17-21-16(22-25-17)15(18)11-5-3-4-6-14(11)24-2/h3-6,9-10,15,19H,7-8,18H2,1-2H3
InChIKeyIPZVKUYIMUPMHX-UHFFFAOYSA-N
XLogP1.61
TPSA104.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 167861725) is (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ccccc1C(N)c1noc(C2CNc3cnn(C)c3C2)n1.
What is the InChIKey of (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is IPZVKUYIMUPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-23-13-7-10(8-19-12(13)9-20-23)17-21-16(22-25-17)15(18)11-5-3-4-6-14(11)24-2/h3-6,9-10,15,19H,7-8,18H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine?
(2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 340.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 167861725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).