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

C22H17F3N4 — CID 71456562

IUPAC7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3CC3CC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H17F3N4/c23-22(24,25)10-17-12-27-21-19(11-26)18(6-8-29(17)21)15-3-4-20-16(9-15)5-7-28(20)13-14-1-2-14/h3-9,12,14H,1-2,10,13H2
InChIKeyWIZFLPRYSHVTTJ-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.34
Rot. Bonds4

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

7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 71456562) has the molecular formula C22H17F3N4 and a molecular weight of 394.40 g/mol. Its IUPAC name is 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID71456562
Molecular FormulaC22H17F3N4
Molecular Weight394.40 g/mol
Exact Mass394.14
IUPAC Name7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3CC3CC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H17F3N4/c23-22(24,25)10-17-12-27-21-19(11-26)18(6-8-29(17)21)15-3-4-20-16(9-15)5-7-28(20)13-14-1-2-14/h3-9,12,14H,1-2,10,13H2
InChIKeyWIZFLPRYSHVTTJ-UHFFFAOYSA-N
XLogP5.34
TPSA46.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 71456562) is 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc3c(ccn3CC3CC3)c2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is WIZFLPRYSHVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4/c23-22(24,25)10-17-12-27-21-19(11-26)18(6-8-29(17)21)15-3-4-20-16(9-15)5-7-28(20)13-14-1-2-14/h3-9,12,14H,1-2,10,13H2.
What are the key properties of 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 394.40 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 71456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).