tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate

C25H26N6O4 — CID 71280205

IUPACtert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate
SMILESCc1ccc(-c2noc(C3(NC(=O)OC(C)(C)C)CC3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H26N6O4/c1-15-8-9-16(13-17(15)27-21(32)18-14-26-19-7-5-6-12-31(18)19)20-28-22(35-30-20)25(10-11-25)29-23(33)34-24(2,3)4/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNSRLVENBQNMIER-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.46
Rot. Bonds5

About tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate

tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate (PubChem CID 71280205) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate
PubChem CID71280205
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Nametert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate
SMILESCc1ccc(-c2noc(C3(NC(=O)OC(C)(C)C)CC3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H26N6O4/c1-15-8-9-16(13-17(15)27-21(32)18-14-26-19-7-5-6-12-31(18)19)20-28-22(35-30-20)25(10-11-25)29-23(33)34-24(2,3)4/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNSRLVENBQNMIER-UHFFFAOYSA-N
XLogP4.46
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate (CID 71280205) is tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate is Cc1ccc(-c2noc(C3(NC(=O)OC(C)(C)C)CC3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate?
The InChIKey is NSRLVENBQNMIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15-8-9-16(13-17(15)27-21(32)18-14-26-19-7-5-6-12-31(18)19)20-28-22(35-30-20)25(10-11-25)29-23(33)34-24(2,3)4/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H,29,33).
What are the key properties of tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate?
tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate has a molecular weight of 474.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate is sourced from PubChem (CID 71280205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).