(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C23H19F3N4O2 — CID 162543515

IUPAC(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H19F3N4O2/c1-13(16-9-22(31)28-10-16)32-19-8-15(7-18-17(19)3-2-6-27-18)14-4-5-21-29-20(23(24,25)26)12-30(21)11-14/h2-8,11-13,16H,9-10H2,1H3,(H,28,31)/t13?,16-/m1/s1
InChIKeyHXWUPTNASFMVML-FQNRMIAFSA-N
MW440.43 g/mol
LogP4.47
Rot. Bonds4

About (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 162543515) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID162543515
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H19F3N4O2/c1-13(16-9-22(31)28-10-16)32-19-8-15(7-18-17(19)3-2-6-27-18)14-4-5-21-29-20(23(24,25)26)12-30(21)11-14/h2-8,11-13,16H,9-10H2,1H3,(H,28,31)/t13?,16-/m1/s1
InChIKeyHXWUPTNASFMVML-FQNRMIAFSA-N
XLogP4.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 162543515) is (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HXWUPTNASFMVML-FQNRMIAFSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-13(16-9-22(31)28-10-16)32-19-8-15(7-18-17(19)3-2-6-27-18)14-4-5-21-29-20(23(24,25)26)12-30(21)11-14/h2-8,11-13,16H,9-10H2,1H3,(H,28,31)/t13?,16-/m1/s1.
What are the key properties of (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 440.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 162543515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).