4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine

C23H27F3N6O — CID 162670490

IUPAC4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(C2CCN(c3nccc4[nH]c(-c5cccc(OC(F)(F)F)c5)nc34)CC2)CC1
InChIInChI=1S/C23H27F3N6O/c1-30-11-13-31(14-12-30)17-6-9-32(10-7-17)22-20-19(5-8-27-22)28-21(29-20)16-3-2-4-18(15-16)33-23(24,25)26/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,28,29)
InChIKeyOCQFUBOTXYZQCJ-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.74
Rot. Bonds4

About 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine

4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine (PubChem CID 162670490) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
PubChem CID162670490
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(C2CCN(c3nccc4[nH]c(-c5cccc(OC(F)(F)F)c5)nc34)CC2)CC1
InChIInChI=1S/C23H27F3N6O/c1-30-11-13-31(14-12-30)17-6-9-32(10-7-17)22-20-19(5-8-27-22)28-21(29-20)16-3-2-4-18(15-16)33-23(24,25)26/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,28,29)
InChIKeyOCQFUBOTXYZQCJ-UHFFFAOYSA-N
XLogP3.74
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine 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 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine (CID 162670490) is 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine is CN1CCN(C2CCN(c3nccc4[nH]c(-c5cccc(OC(F)(F)F)c5)nc34)CC2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is OCQFUBOTXYZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-30-11-13-31(14-12-30)17-6-9-32(10-7-17)22-20-19(5-8-27-22)28-21(29-20)16-3-2-4-18(15-16)33-23(24,25)26/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,28,29).
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine?
4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 460.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162670490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).