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

C33H36FN7O3 — CID 68621875

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccnc(CCCN6CCOCC6)c5)ccn34)cc2F)no1
InChIInChI=1S/C33H36FN7O3/c1-33(2,3)29-20-30(39-44-29)38-32(42)37-27-7-6-24(18-26(27)34)28-21-36-31-19-23(9-12-41(28)31)22-8-10-35-25(17-22)5-4-11-40-13-15-43-16-14-40/h6-10,12,17-21H,4-5,11,13-16H2,1-3H3,(H2,37,38,39,42)
InChIKeyCOYUGBHNCNNUGT-UHFFFAOYSA-N
MW597.70 g/mol
LogP6.40
Rot. Bonds8

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 68621875) has the molecular formula C33H36FN7O3 and a molecular weight of 597.70 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID68621875
Molecular FormulaC33H36FN7O3
Molecular Weight597.70 g/mol
Exact Mass597.29
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccnc(CCCN6CCOCC6)c5)ccn34)cc2F)no1
InChIInChI=1S/C33H36FN7O3/c1-33(2,3)29-20-30(39-44-29)38-32(42)37-27-7-6-24(18-26(27)34)28-21-36-31-19-23(9-12-41(28)31)22-8-10-35-25(17-22)5-4-11-40-13-15-43-16-14-40/h6-10,12,17-21H,4-5,11,13-16H2,1-3H3,(H2,37,38,39,42)
InChIKeyCOYUGBHNCNNUGT-UHFFFAOYSA-N
XLogP6.40
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.70
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 68621875) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccnc(CCCN6CCOCC6)c5)ccn34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is COYUGBHNCNNUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O3/c1-33(2,3)29-20-30(39-44-29)38-32(42)37-27-7-6-24(18-26(27)34)28-21-36-31-19-23(9-12-41(28)31)22-8-10-35-25(17-22)5-4-11-40-13-15-43-16-14-40/h6-10,12,17-21H,4-5,11,13-16H2,1-3H3,(H2,37,38,39,42).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 597.70 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-(3-morpholin-4-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 68621875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).