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

C22H16F3N5O — CID 25204468

IUPAC1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1
InChIInChI=1S/C22H16F3N5O/c1-13-4-3-5-15(28-13)11-31-20-7-6-14(8-16(20)22(23,24)25)17-9-19-21(18(10-26)29-17)27-12-30(19)2/h3-9,12H,11H2,1-2H3
InChIKeyOJEVAZXLIPJFSB-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.81
Rot. Bonds4

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

1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 25204468) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID25204468
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1
InChIInChI=1S/C22H16F3N5O/c1-13-4-3-5-15(28-13)11-31-20-7-6-14(8-16(20)22(23,24)25)17-9-19-21(18(10-26)29-17)27-12-30(19)2/h3-9,12H,11H2,1-2H3
InChIKeyOJEVAZXLIPJFSB-UHFFFAOYSA-N
XLogP4.81
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 25204468) is 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1.
What is the InChIKey of 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is OJEVAZXLIPJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-13-4-3-5-15(28-13)11-31-20-7-6-14(8-16(20)22(23,24)25)17-9-19-21(18(10-26)29-17)27-12-30(19)2/h3-9,12H,11H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 423.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[(6-methyl-2-pyridinyl)methoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 25204468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).