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

C27H25FN6O2 — CID 68622012

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
SMILESCC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)no1
InChIInChI=1S/C27H25FN6O2/c1-27(2,3)23-14-24(33-36-23)32-26(35)31-15-20-5-4-19(12-21(20)28)22-16-30-25-13-18(8-11-34(22)25)17-6-9-29-10-7-17/h4-14,16H,15H2,1-3H3,(H2,31,32,33,35)
InChIKeyQAGZKIJIOFSXOZ-UHFFFAOYSA-N
MW484.54 g/mol
LogP5.81
Rot. Bonds5

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea (PubChem CID 68622012) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
PubChem CID68622012
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
SMILESCC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)no1
InChIInChI=1S/C27H25FN6O2/c1-27(2,3)23-14-24(33-36-23)32-26(35)31-15-20-5-4-19(12-21(20)28)22-16-30-25-13-18(8-11-34(22)25)17-6-9-29-10-7-17/h4-14,16H,15H2,1-3H3,(H2,31,32,33,35)
InChIKeyQAGZKIJIOFSXOZ-UHFFFAOYSA-N
XLogP5.81
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-[3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-fluorophenyl]imidazo[1,2-a]pyridin-7-yl]benzoic acid
CID 68546873
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-oxopropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
CID 86634308
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
CID 68543160
N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622604
N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68621684
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622762
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622685
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321126
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 174621514

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea (CID 68622012) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea is CC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea?
The InChIKey is QAGZKIJIOFSXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-27(2,3)23-14-24(33-36-23)32-26(35)31-15-20-5-4-19(12-21(20)28)22-16-30-25-13-18(8-11-34(22)25)17-6-9-29-10-7-17/h4-14,16H,15H2,1-3H3,(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-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea has a molecular weight of 484.54 g/mol, XLogP of 5.81, 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-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea is sourced from PubChem (CID 68622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).