3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C23H21F3N10 — CID 139344867

IUPAC3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5ncc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-30-11-17(36(20)12-16)22-29-4-3-21(33-22)35-8-7-34(14-19-27-5-6-28-19)18(13-35)15-9-31-32-10-15/h1-6,9-12,18H,7-8,13-14H2,(H,27,28)(H,31,32)
InChIKeyXNYPJTWHGQWVEM-UHFFFAOYSA-N
MW494.49 g/mol
LogP3.32
Rot. Bonds5

About 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344867) has the molecular formula C23H21F3N10 and a molecular weight of 494.49 g/mol. Its IUPAC name is 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344867
Molecular FormulaC23H21F3N10
Molecular Weight494.49 g/mol
Exact Mass494.19
IUPAC Name3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5ncc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-30-11-17(36(20)12-16)22-29-4-3-21(33-22)35-8-7-34(14-19-27-5-6-28-19)18(13-35)15-9-31-32-10-15/h1-6,9-12,18H,7-8,13-14H2,(H,27,28)(H,31,32)
InChIKeyXNYPJTWHGQWVEM-UHFFFAOYSA-N
XLogP3.32
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]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-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344867) is 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5ncc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is XNYPJTWHGQWVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-30-11-17(36(20)12-16)22-29-4-3-21(33-22)35-8-7-34(14-19-27-5-6-28-19)18(13-35)15-9-31-32-10-15/h1-6,9-12,18H,7-8,13-14H2,(H,27,28)(H,31,32).
What are the key properties of 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 494.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).