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

C25H27F3N6O2 — CID 59410700

IUPAC1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCNCC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H27F3N6O2/c1-30-14-23(35)34-8-5-16(6-9-34)7-10-36-22-4-3-17(11-18(22)25(26,27)28)19-12-21-24(20(13-29)32-19)31-15-33(21)2/h3-4,11-12,15-16,30H,5-10,14H2,1-2H3
InChIKeyQSOLVQXBDATTQF-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.75
Rot. Bonds7

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

1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 59410700) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID59410700
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCNCC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H27F3N6O2/c1-30-14-23(35)34-8-5-16(6-9-34)7-10-36-22-4-3-17(11-18(22)25(26,27)28)19-12-21-24(20(13-29)32-19)31-15-33(21)2/h3-4,11-12,15-16,30H,5-10,14H2,1-2H3
InChIKeyQSOLVQXBDATTQF-UHFFFAOYSA-N
XLogP3.75
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 59410700) is 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]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-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is CNCC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is QSOLVQXBDATTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-30-14-23(35)34-8-5-16(6-9-34)7-10-36-22-4-3-17(11-18(22)25(26,27)28)19-12-21-24(20(13-29)32-19)31-15-33(21)2/h3-4,11-12,15-16,30H,5-10,14H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 500.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 59410700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).