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

C24H27F3N6O — CID 67101459

IUPAC1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCC(C)N1CCN(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N6O/c1-16(2)33-8-6-32(7-9-33)10-11-34-22-5-4-17(12-18(22)24(25,26)27)19-13-21-23(20(14-28)30-19)29-15-31(21)3/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyVDXROUQRQFMWSJ-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.93
Rot. Bonds6

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

1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 67101459) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID67101459
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCC(C)N1CCN(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N6O/c1-16(2)33-8-6-32(7-9-33)10-11-34-22-5-4-17(12-18(22)24(25,26)27)19-13-21-23(20(14-28)30-19)29-15-31(21)3/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyVDXROUQRQFMWSJ-UHFFFAOYSA-N
XLogP3.93
TPSA70.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.93
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-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 67101459) is 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is CC(C)N1CCN(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is VDXROUQRQFMWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-16(2)33-8-6-32(7-9-33)10-11-34-22-5-4-17(12-18(22)24(25,26)27)19-13-21-23(20(14-28)30-19)29-15-31(21)3/h4-5,12-13,15-16H,6-11H2,1-3H3.
What are the key properties of 1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 472.52 g/mol, XLogP of 3.93, 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-(4-propan-2-ylpiperazin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 67101459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).