7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C23H19F3N4O — CID 46215708

IUPAC7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3C3CCOCC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)12-18-14-28-22-20(13-27)19(4-8-30(18)22)15-1-2-21-16(11-15)3-7-29(21)17-5-9-31-10-6-17/h1-4,7-8,11,14,17H,5-6,9-10,12H2
InChIKeySUUOKLVCMLONGL-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.28
Rot. Bonds3

About 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46215708) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46215708
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3C3CCOCC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)12-18-14-28-22-20(13-27)19(4-8-30(18)22)15-1-2-21-16(11-15)3-7-29(21)17-5-9-31-10-6-17/h1-4,7-8,11,14,17H,5-6,9-10,12H2
InChIKeySUUOKLVCMLONGL-UHFFFAOYSA-N
XLogP5.28
TPSA55.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46215708) is 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc3c(ccn3C3CCOCC3)c2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is SUUOKLVCMLONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-23(25,26)12-18-14-28-22-20(13-27)19(4-8-30(18)22)15-1-2-21-16(11-15)3-7-29(21)17-5-9-31-10-6-17/h1-4,7-8,11,14,17H,5-6,9-10,12H2.
What are the key properties of 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 424.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).