1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid

C22H22N6O5 — CID 69299766

IUPAC1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(-c3ccccc3)ncc(C(=O)O)c21
InChIInChI=1S/C22H22N6O5/c1-5-28-17-13(20(29)30)11-23-14(12-9-7-6-8-10-12)15(17)24-19(28)16-18(27-33-26-16)25-21(31)32-22(2,3)4/h6-11H,5H2,1-4H3,(H,29,30)(H,25,27,31)
InChIKeyNBBGHZUPTBCPDR-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.21
Rot. Bonds5

About 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid

1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 69299766) has the molecular formula C22H22N6O5 and a molecular weight of 450.46 g/mol. Its IUPAC name is 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID69299766
Molecular FormulaC22H22N6O5
Molecular Weight450.46 g/mol
Exact Mass450.17
IUPAC Name1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(-c3ccccc3)ncc(C(=O)O)c21
InChIInChI=1S/C22H22N6O5/c1-5-28-17-13(20(29)30)11-23-14(12-9-7-6-8-10-12)15(17)24-19(28)16-18(27-33-26-16)25-21(31)32-22(2,3)4/h6-11H,5H2,1-4H3,(H,29,30)(H,25,27,31)
InChIKeyNBBGHZUPTBCPDR-UHFFFAOYSA-N
XLogP4.21
TPSA145.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid (CID 69299766) is 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid is CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(-c3ccccc3)ncc(C(=O)O)c21.
What is the InChIKey of 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is NBBGHZUPTBCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5/c1-5-28-17-13(20(29)30)11-23-14(12-9-7-6-8-10-12)15(17)24-19(28)16-18(27-33-26-16)25-21(31)32-22(2,3)4/h6-11H,5H2,1-4H3,(H,29,30)(H,25,27,31).
What are the key properties of 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid?
1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 450.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,5-oxadiazol-3-yl]-4-phenylimidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 69299766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).