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

C24H21F3N4O — CID 71451227

IUPAC7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3C3CCC(O)CC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2
InChIKeyUGZFYEMQFOUSJI-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.41
Rot. Bonds3

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

7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 71451227) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID71451227
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc3c(ccn3C3CCC(O)CC3)c2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2
InChIKeyUGZFYEMQFOUSJI-UHFFFAOYSA-N
XLogP5.41
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 71451227) is 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc3c(ccn3C3CCC(O)CC3)c2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is UGZFYEMQFOUSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2.
What are the key properties of 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 438.45 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-hydroxycyclohexyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 71451227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).