methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate

C23H16N8O4 — CID 68875483

IUPACmethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate
SMILESCOC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C23H16N8O4/c1-33-23(32)12-3-2-4-15(8-12)34-19-9-18-17(11-25-19)27-22(20-21(24)30-35-29-20)31(18)14-5-6-16-13(7-14)10-26-28-16/h2-11H,1H3,(H2,24,30)(H,26,28)
InChIKeyLIPCKZPTDCHEJX-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.51
Rot. Bonds5

About methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate

methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate (PubChem CID 68875483) has the molecular formula C23H16N8O4 and a molecular weight of 468.43 g/mol. Its IUPAC name is methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate
PubChem CID68875483
Molecular FormulaC23H16N8O4
Molecular Weight468.43 g/mol
Exact Mass468.13
IUPAC Namemethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate
SMILESCOC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C23H16N8O4/c1-33-23(32)12-3-2-4-15(8-12)34-19-9-18-17(11-25-19)27-22(20-21(24)30-35-29-20)31(18)14-5-6-16-13(7-14)10-26-28-16/h2-11H,1H3,(H2,24,30)(H,26,28)
InChIKeyLIPCKZPTDCHEJX-UHFFFAOYSA-N
XLogP3.51
TPSA159.86 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate?
The IUPAC name of methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate (CID 68875483) is methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate.
What is the SMILES notation for methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate?
The canonical SMILES for methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate is COC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate?
The InChIKey is LIPCKZPTDCHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8O4/c1-33-23(32)12-3-2-4-15(8-12)34-19-9-18-17(11-25-19)27-22(20-21(24)30-35-29-20)31(18)14-5-6-16-13(7-14)10-26-28-16/h2-11H,1H3,(H2,24,30)(H,26,28).
What are the key properties of methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate?
methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate has a molecular weight of 468.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate is sourced from PubChem (CID 68875483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).