tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C25H28N4O4 — CID 137410598

IUPACtert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C25H28N4O4/c1-15-22(16(2)33-28-15)18-11-12-29-20(13-18)27-23(17-7-9-19(31-6)10-8-17)24(29)26-14-21(30)32-25(3,4)5/h7-13,26H,14H2,1-6H3
InChIKeyHUDPFRWAMPCZCO-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.04
Rot. Bonds6

About tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 137410598) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID137410598
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Nametert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C25H28N4O4/c1-15-22(16(2)33-28-15)18-11-12-29-20(13-18)27-23(17-7-9-19(31-6)10-8-17)24(29)26-14-21(30)32-25(3,4)5/h7-13,26H,14H2,1-6H3
InChIKeyHUDPFRWAMPCZCO-UHFFFAOYSA-N
XLogP5.04
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 137409212
CID 137409212
CID 4179181
CID 4179181
CID 9550690
CID 9550690
CID 117834596
CID 117834596
CID 117834615
CID 117834615
CID 117841255
CID 117841255
CID 137409199
CID 137409199
CID 137409200
CID 137409200
CID 137409201
CID 137409201
CID 137409210
CID 137409210
CID 137409211
CID 137409211
CID 146524803
CID 146524803

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 137410598) is tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is COc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is HUDPFRWAMPCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15-22(16(2)33-28-15)18-11-12-29-20(13-18)27-23(17-7-9-19(31-6)10-8-17)24(29)26-14-21(30)32-25(3,4)5/h7-13,26H,14H2,1-6H3.
What are the key properties of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 448.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 137410598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).