6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C21H20F3N5O — CID 86643519

IUPAC6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)cc2[nH]cnc12
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-9-14(16-10-17-20(28-12-27-17)18(11-25)29-16)1-2-19(15)30-8-5-13-3-6-26-7-4-13/h1-2,9-10,12-13,26H,3-8H2,(H,27,28)
InChIKeyMDNOMHVOVWATGV-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.28
Rot. Bonds5

About 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 86643519) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID86643519
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)cc2[nH]cnc12
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-9-14(16-10-17-20(28-12-27-17)18(11-25)29-16)1-2-19(15)30-8-5-13-3-6-26-7-4-13/h1-2,9-10,12-13,26H,3-8H2,(H,27,28)
InChIKeyMDNOMHVOVWATGV-UHFFFAOYSA-N
XLogP4.28
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 86643519) is 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is N#Cc1nc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)cc2[nH]cnc12.
What is the InChIKey of 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is MDNOMHVOVWATGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)15-9-14(16-10-17-20(28-12-27-17)18(11-25)29-16)1-2-19(15)30-8-5-13-3-6-26-7-4-13/h1-2,9-10,12-13,26H,3-8H2,(H,27,28).
What are the key properties of 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 415.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 86643519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).