1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C24H21F3N4O2 — CID 157221316

IUPAC1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESCCOc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C24H21F3N4O2/c1-2-33-20-13-29-23(30-14-20)18-7-9-31-21(15-28-22(31)12-18)17-5-3-4-16(10-17)11-19(32)6-8-24(25,26)27/h3-5,7,9-10,12-15H,2,6,8,11H2,1H3
InChIKeyATAGLCVCUZXCLM-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.31
Rot. Bonds8

About 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 157221316) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
PubChem CID157221316
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESCCOc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C24H21F3N4O2/c1-2-33-20-13-29-23(30-14-20)18-7-9-31-21(15-28-22(31)12-18)17-5-3-4-16(10-17)11-19(32)6-8-24(25,26)27/h3-5,7,9-10,12-15H,2,6,8,11H2,1H3
InChIKeyATAGLCVCUZXCLM-UHFFFAOYSA-N
XLogP5.31
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 157221316) is 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is CCOc1cnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)nc1.
What is the InChIKey of 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The InChIKey is ATAGLCVCUZXCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-2-33-20-13-29-23(30-14-20)18-7-9-31-21(15-28-22(31)12-18)17-5-3-4-16(10-17)11-19(32)6-8-24(25,26)27/h3-5,7,9-10,12-15H,2,6,8,11H2,1H3.
What are the key properties of 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 454.45 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(5-ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 157221316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).