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

C34H38FN7O3 — CID 68621680

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccn(CCCN6CCCCC6)c(=O)c5)ccn34)cc2F)no1
InChIInChI=1S/C34H38FN7O3/c1-34(2,3)29-21-30(39-45-29)38-33(44)37-27-9-8-25(18-26(27)35)28-22-36-31-19-23(11-17-42(28)31)24-10-16-41(32(43)20-24)15-7-14-40-12-5-4-6-13-40/h8-11,16-22H,4-7,12-15H2,1-3H3,(H2,37,38,39,44)
InChIKeyROQJTMXAXRHCOB-UHFFFAOYSA-N
MW611.72 g/mol
LogP6.77
Rot. Bonds8

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 68621680) has the molecular formula C34H38FN7O3 and a molecular weight of 611.72 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID68621680
Molecular FormulaC34H38FN7O3
Molecular Weight611.72 g/mol
Exact Mass611.30
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccn(CCCN6CCCCC6)c(=O)c5)ccn34)cc2F)no1
InChIInChI=1S/C34H38FN7O3/c1-34(2,3)29-21-30(39-45-29)38-33(44)37-27-9-8-25(18-26(27)35)28-22-36-31-19-23(11-17-42(28)31)24-10-16-41(32(43)20-24)15-7-14-40-12-5-4-6-13-40/h8-11,16-22H,4-7,12-15H2,1-3H3,(H2,37,38,39,44)
InChIKeyROQJTMXAXRHCOB-UHFFFAOYSA-N
XLogP6.77
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.72
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 68621680) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccn(CCCN6CCCCC6)c(=O)c5)ccn34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is ROQJTMXAXRHCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN7O3/c1-34(2,3)29-21-30(39-45-29)38-33(44)37-27-9-8-25(18-26(27)35)28-22-36-31-19-23(11-17-42(28)31)24-10-16-41(32(43)20-24)15-7-14-40-12-5-4-6-13-40/h8-11,16-22H,4-7,12-15H2,1-3H3,(H2,37,38,39,44).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[7-[2-oxo-1-(3-piperidin-1-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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 611.72 g/mol, XLogP of 6.77, 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-oxo-1-(3-piperidin-1-ylpropyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 68621680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).