6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

C24H24F3N5O2 — CID 53322116

IUPAC6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3
InChIKeySZBLJWDYHMNXDI-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.55
Rot. Bonds5

About 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 53322116) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID53322116
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3
InChIKeySZBLJWDYHMNXDI-UHFFFAOYSA-N
XLogP4.55
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 53322116) is 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is SZBLJWDYHMNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3.
What are the key properties of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 471.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 53322116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).