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

C28H27F3N6O — CID 46842746

IUPAC1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C28H27F3N6O/c1-18-4-3-5-26(34-18)37-11-8-19(9-12-37)10-13-38-25-7-6-20(14-21(25)28(29,30)31)22-15-24-27(23(16-32)35-22)33-17-36(24)2/h3-7,14-15,17,19H,8-13H2,1-2H3
InChIKeyPADYSLXFLATJTB-UHFFFAOYSA-N
MW520.56 g/mol
LogP5.91
Rot. Bonds6

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

1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842746) has the molecular formula C28H27F3N6O and a molecular weight of 520.56 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842746
Molecular FormulaC28H27F3N6O
Molecular Weight520.56 g/mol
Exact Mass520.22
IUPAC Name1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C28H27F3N6O/c1-18-4-3-5-26(34-18)37-11-8-19(9-12-37)10-13-38-25-7-6-20(14-21(25)28(29,30)31)22-15-24-27(23(16-32)35-22)33-17-36(24)2/h3-7,14-15,17,19H,8-13H2,1-2H3
InChIKeyPADYSLXFLATJTB-UHFFFAOYSA-N
XLogP5.91
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 46842746) is 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)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-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)n1.
What is the InChIKey of 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is PADYSLXFLATJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O/c1-18-4-3-5-26(34-18)37-11-8-19(9-12-37)10-13-38-25-7-6-20(14-21(25)28(29,30)31)22-15-24-27(23(16-32)35-22)33-17-36(24)2/h3-7,14-15,17,19H,8-13H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 520.56 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).