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

C26H23FN6O2 — CID 68622108

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)no1
InChIInChI=1S/C26H23FN6O2/c1-26(2,3)22-14-23(32-35-22)31-25(34)30-20-8-7-17(12-18(20)27)21-15-29-24-13-16(9-11-33(21)24)19-6-4-5-10-28-19/h4-15H,1-3H3,(H2,30,31,32,34)
InChIKeyJRIPHTYYBFJWLE-UHFFFAOYSA-N
MW470.51 g/mol
LogP6.13
Rot. Bonds4

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (PubChem CID 68622108) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
PubChem CID68622108
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)no1
InChIInChI=1S/C26H23FN6O2/c1-26(2,3)22-14-23(32-35-22)31-25(34)30-20-8-7-17(12-18(20)27)21-15-29-24-13-16(9-11-33(21)24)19-6-4-5-10-28-19/h4-15H,1-3H3,(H2,30,31,32,34)
InChIKeyJRIPHTYYBFJWLE-UHFFFAOYSA-N
XLogP6.13
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 56.13
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-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (CID 68622108) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The InChIKey is JRIPHTYYBFJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-26(2,3)22-14-23(32-35-22)31-25(34)30-20-8-7-17(12-18(20)27)21-15-29-24-13-16(9-11-33(21)24)19-6-4-5-10-28-19/h4-15H,1-3H3,(H2,30,31,32,34).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea has a molecular weight of 470.51 g/mol, XLogP of 6.13, 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-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 68622108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).