1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C23H24F3N5O — CID 68518546

IUPAC1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3c(ncn3CCCN(C)C3CC3)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O/c1-3-32-21-8-5-15(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)10-4-9-30(2)16-6-7-16/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyYGQDLYYVBPGPMW-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.87
Rot. Bonds8

About 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 68518546) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID68518546
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3c(ncn3CCCN(C)C3CC3)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O/c1-3-32-21-8-5-15(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)10-4-9-30(2)16-6-7-16/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyYGQDLYYVBPGPMW-UHFFFAOYSA-N
XLogP4.87
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 68518546) is 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is CCOc1ccc(-c2cc3c(ncn3CCCN(C)C3CC3)c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is YGQDLYYVBPGPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-3-32-21-8-5-15(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)10-4-9-30(2)16-6-7-16/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 443.47 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(methyl)amino]propyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 68518546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).