3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C24H24F3N5 — CID 121389304

IUPAC3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24F3N5/c1-15-21(31-22(30-15)17-4-6-18(7-5-17)24(25,26)27)14-32-11-8-16(9-12-32)20-13-29-23-19(20)3-2-10-28-23/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,28,29)(H,30,31)
InChIKeyHPBAKSVLSBAZDJ-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.66
Rot. Bonds4

About 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 121389304) has the molecular formula C24H24F3N5 and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID121389304
Molecular FormulaC24H24F3N5
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24F3N5/c1-15-21(31-22(30-15)17-4-6-18(7-5-17)24(25,26)27)14-32-11-8-16(9-12-32)20-13-29-23-19(20)3-2-10-28-23/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,28,29)(H,30,31)
InChIKeyHPBAKSVLSBAZDJ-UHFFFAOYSA-N
XLogP5.66
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]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 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 121389304) is 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HPBAKSVLSBAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5/c1-15-21(31-22(30-15)17-4-6-18(7-5-17)24(25,26)27)14-32-11-8-16(9-12-32)20-13-29-23-19(20)3-2-10-28-23/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 439.49 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121389304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).