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

C26H22F2N6O2 — CID 68621677

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5F)ccn34)cc2F)no1
InChIInChI=1S/C26H22F2N6O2/c1-26(2,3)22-12-23(33-36-22)32-25(35)31-20-5-4-16(10-18(20)27)21-14-30-24-11-15(7-9-34(21)24)17-6-8-29-13-19(17)28/h4-14H,1-3H3,(H2,31,32,33,35)
InChIKeyQYODOVJXSYVDJY-UHFFFAOYSA-N
MW488.50 g/mol
LogP6.27
Rot. Bonds4

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 68621677) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID68621677
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5F)ccn34)cc2F)no1
InChIInChI=1S/C26H22F2N6O2/c1-26(2,3)22-12-23(33-36-22)32-25(35)31-20-5-4-16(10-18(20)27)21-14-30-24-11-15(7-9-34(21)24)17-6-8-29-13-19(17)28/h4-14H,1-3H3,(H2,31,32,33,35)
InChIKeyQYODOVJXSYVDJY-UHFFFAOYSA-N
XLogP6.27
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 68621677) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-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-(3-fluoro-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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5F)ccn34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is QYODOVJXSYVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-26(2,3)22-12-23(33-36-22)32-25(35)31-20-5-4-16(10-18(20)27)21-14-30-24-11-15(7-9-34(21)24)17-6-8-29-13-19(17)28/h4-14H,1-3H3,(H2,31,32,33,35).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-(3-fluoro-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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 488.50 g/mol, XLogP of 6.27, 4 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-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 68621677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).