1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C26H26F3N7O2 — CID 46842626

IUPAC1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1noc(CN2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3
InChIKeyJBNRHFUPAQZVOZ-UHFFFAOYSA-N
MW525.54 g/mol
LogP4.90
Rot. Bonds7

About 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842626) has the molecular formula C26H26F3N7O2 and a molecular weight of 525.54 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842626
Molecular FormulaC26H26F3N7O2
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC Name1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1noc(CN2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3
InChIKeyJBNRHFUPAQZVOZ-UHFFFAOYSA-N
XLogP4.90
TPSA105.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 46842626) is 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cc1noc(CN2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1.
What is the InChIKey of 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is JBNRHFUPAQZVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 525.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).