tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate

C22H22N4O3 — CID 54128795

IUPACtert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
SMILESCC(NC(=O)c1ccc2nc(-c3ccc(C#N)cc3)cn2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H22N4O3/c1-14(21(28)29-22(2,3)4)24-20(27)17-9-10-19-25-18(13-26(19)12-17)16-7-5-15(11-23)6-8-16/h5-10,12-14H,1-4H3,(H,24,27)
InChIKeyNSVLEPFHZIWFSP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate

tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate (PubChem CID 54128795) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
PubChem CID54128795
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nametert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
SMILESCC(NC(=O)c1ccc2nc(-c3ccc(C#N)cc3)cn2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H22N4O3/c1-14(21(28)29-22(2,3)4)24-20(27)17-9-10-19-25-18(13-26(19)12-17)16-7-5-15(11-23)6-8-16/h5-10,12-14H,1-4H3,(H,24,27)
InChIKeyNSVLEPFHZIWFSP-UHFFFAOYSA-N
XLogP3.33
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate?
The IUPAC name of tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate (CID 54128795) is tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate?
The canonical SMILES for tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate is CC(NC(=O)c1ccc2nc(-c3ccc(C#N)cc3)cn2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate?
The InChIKey is NSVLEPFHZIWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14(21(28)29-22(2,3)4)24-20(27)17-9-10-19-25-18(13-26(19)12-17)16-7-5-15(11-23)6-8-16/h5-10,12-14H,1-4H3,(H,24,27).
What are the key properties of tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate?
tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate has a molecular weight of 390.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate is sourced from PubChem (CID 54128795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).