tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate

C17H17N3O2 — CID 139447783

IUPACtert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cccn3ccnc23)c1
InChIInChI=1S/C17H17N3O2/c1-17(2,3)22-16(21)12-6-7-18-14(11-12)13-5-4-9-20-10-8-19-15(13)20/h4-11H,1-3H3
InChIKeySSKXGFVRJPRSMW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate

tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate (PubChem CID 139447783) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
PubChem CID139447783
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nametert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cccn3ccnc23)c1
InChIInChI=1S/C17H17N3O2/c1-17(2,3)22-16(21)12-6-7-18-14(11-12)13-5-4-9-20-10-8-19-15(13)20/h4-11H,1-3H3
InChIKeySSKXGFVRJPRSMW-UHFFFAOYSA-N
XLogP3.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate
CID 139447976
tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
CID 139447993
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
CID 139447971
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate
CID 151779128
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
tert-butyl azulene-5-carboxylate
CID 67371592
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
tert-butyl 3-iodobenzoate
CID 18386959
CID 162139404
CID 162139404
tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980
tert-butyl 4-amino-3-(2-aminoimidazol-1-yl)benzoate
CID 10588382

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate (CID 139447783) is tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(-c2cccn3ccnc23)c1.
What is the InChIKey of tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate?
The InChIKey is SSKXGFVRJPRSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2,3)22-16(21)12-6-7-18-14(11-12)13-5-4-9-20-10-8-19-15(13)20/h4-11H,1-3H3.
What are the key properties of tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate?
tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate is sourced from PubChem (CID 139447783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).