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

C26H29F3N6O2 — CID 46842672

IUPAC6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN(C)CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C26H29F3N6O2/c1-33(2)15-24(36)35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3
InChIKeyMGGFBMDZFSRJLL-UHFFFAOYSA-N
MW514.55 g/mol
LogP4.09
Rot. Bonds7

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

6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842672) has the molecular formula C26H29F3N6O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842672
Molecular FormulaC26H29F3N6O2
Molecular Weight514.55 g/mol
Exact Mass514.23
IUPAC Name6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN(C)CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C26H29F3N6O2/c1-33(2)15-24(36)35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3
InChIKeyMGGFBMDZFSRJLL-UHFFFAOYSA-N
XLogP4.09
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 46842672) is 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is CN(C)CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is MGGFBMDZFSRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O2/c1-33(2)15-24(36)35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3.
What are the key properties of 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 514.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).