N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C23H18N6O2 — CID 70945072

IUPACN-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1)c1ccccc1
InChIInChI=1S/C23H18N6O2/c30-22(16-8-2-1-3-9-16)25-14-20-26-23(31-28-20)21-18-11-4-5-12-19(18)27-29(21)15-17-10-6-7-13-24-17/h1-13H,14-15H2,(H,25,30)
InChIKeyZKBDLCSVVSJRMJ-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.46
Rot. Bonds6

About N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 70945072) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID70945072
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1)c1ccccc1
InChIInChI=1S/C23H18N6O2/c30-22(16-8-2-1-3-9-16)25-14-20-26-23(31-28-20)21-18-11-4-5-12-19(18)27-29(21)15-17-10-6-7-13-24-17/h1-13H,14-15H2,(H,25,30)
InChIKeyZKBDLCSVVSJRMJ-UHFFFAOYSA-N
XLogP3.46
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 70945072) is N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1)c1ccccc1.
What is the InChIKey of N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is ZKBDLCSVVSJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-22(16-8-2-1-3-9-16)25-14-20-26-23(31-28-20)21-18-11-4-5-12-19(18)27-29(21)15-17-10-6-7-13-24-17/h1-13H,14-15H2,(H,25,30).
What are the key properties of N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 410.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 70945072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).