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

C19H13F3N4 — CID 46215709

IUPAC7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCn1ccc2cc(-c3ccn4c(CC(F)(F)F)cnc4c3C#N)ccc21
InChIInChI=1S/C19H13F3N4/c1-25-6-4-13-8-12(2-3-17(13)25)15-5-7-26-14(9-19(20,21)22)11-24-18(26)16(15)10-23/h2-8,11H,9H2,1H3
InChIKeyDTPHIIWTOIMRPY-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.47
Rot. Bonds2

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

7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46215709) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46215709
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCn1ccc2cc(-c3ccn4c(CC(F)(F)F)cnc4c3C#N)ccc21
InChIInChI=1S/C19H13F3N4/c1-25-6-4-13-8-12(2-3-17(13)25)15-5-7-26-14(9-19(20,21)22)11-24-18(26)16(15)10-23/h2-8,11H,9H2,1H3
InChIKeyDTPHIIWTOIMRPY-UHFFFAOYSA-N
XLogP4.47
TPSA46.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46215709) is 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is Cn1ccc2cc(-c3ccn4c(CC(F)(F)F)cnc4c3C#N)ccc21.
What is the InChIKey of 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is DTPHIIWTOIMRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-25-6-4-13-8-12(2-3-17(13)25)15-5-7-26-14(9-19(20,21)22)11-24-18(26)16(15)10-23/h2-8,11H,9H2,1H3.
What are the key properties of 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 354.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylindol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46215709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).