N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide

C24H21F3N4O2 — CID 159389279

IUPACN-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
SMILESCCOc1cccc(-c2ccn3c(-c4cccc(NC(=O)CCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C24H21F3N4O2/c1-2-33-23-8-4-7-19(30-23)16-10-12-31-20(15-28-21(31)14-16)17-5-3-6-18(13-17)29-22(32)9-11-24(25,26)27/h3-8,10,12-15H,2,9,11H2,1H3,(H,29,32)
InChIKeyLLXDPDYMOJTPER-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.74
Rot. Bonds7

About N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide

N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide (PubChem CID 159389279) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
PubChem CID159389279
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC NameN-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
SMILESCCOc1cccc(-c2ccn3c(-c4cccc(NC(=O)CCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C24H21F3N4O2/c1-2-33-23-8-4-7-19(30-23)16-10-12-31-20(15-28-21(31)14-16)17-5-3-6-18(13-17)29-22(32)9-11-24(25,26)27/h3-8,10,12-15H,2,9,11H2,1H3,(H,29,32)
InChIKeyLLXDPDYMOJTPER-UHFFFAOYSA-N
XLogP5.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide (CID 159389279) is N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide is CCOc1cccc(-c2ccn3c(-c4cccc(NC(=O)CCC(F)(F)F)c4)cnc3c2)n1.
What is the InChIKey of N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
The InChIKey is LLXDPDYMOJTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-2-33-23-8-4-7-19(30-23)16-10-12-31-20(15-28-21(31)14-16)17-5-3-6-18(13-17)29-22(32)9-11-24(25,26)27/h3-8,10,12-15H,2,9,11H2,1H3,(H,29,32).
What are the key properties of N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide?
N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide has a molecular weight of 454.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 159389279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).