1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

C29H29FN6O2 — CID 68621623

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)c1cc(-c2ccn3c(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)c(F)c4)cnc3c2)ccn1
InChIInChI=1S/C29H29FN6O2/c1-17(2)23-13-18(8-10-31-23)19-9-11-36-24(16-32-27(36)14-19)20-6-7-22(21(30)12-20)33-28(37)34-26-15-25(38-35-26)29(3,4)5/h6-17H,1-5H3,(H2,33,34,35,37)
InChIKeyOOKSFSNJVHUOGR-UHFFFAOYSA-N
MW512.59 g/mol
LogP7.26
Rot. Bonds5

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 68621623) has the molecular formula C29H29FN6O2 and a molecular weight of 512.59 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID68621623
Molecular FormulaC29H29FN6O2
Molecular Weight512.59 g/mol
Exact Mass512.23
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)c1cc(-c2ccn3c(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)c(F)c4)cnc3c2)ccn1
InChIInChI=1S/C29H29FN6O2/c1-17(2)23-13-18(8-10-31-23)19-9-11-36-24(16-32-27(36)14-19)20-6-7-22(21(30)12-20)33-28(37)34-26-15-25(38-35-26)29(3,4)5/h6-17H,1-5H3,(H2,33,34,35,37)
InChIKeyOOKSFSNJVHUOGR-UHFFFAOYSA-N
XLogP7.26
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea 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-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 68621623) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CC(C)c1cc(-c2ccn3c(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)c(F)c4)cnc3c2)ccn1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is OOKSFSNJVHUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O2/c1-17(2)23-13-18(8-10-31-23)19-9-11-36-24(16-32-27(36)14-19)20-6-7-22(21(30)12-20)33-28(37)34-26-15-25(38-35-26)29(3,4)5/h6-17H,1-5H3,(H2,33,34,35,37).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 512.59 g/mol, XLogP of 7.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 68621623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).