3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C23H21F3N10 — CID 139344883

IUPAC3-[4-[4-(1H-imidazol-5-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(Cc5cnc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-29-10-18(36(20)11-16)22-28-4-3-21(33-22)35-6-5-34(12-17-9-27-14-30-17)19(13-35)15-7-31-32-8-15/h1-4,7-11,14,19H,5-6,12-13H2,(H,27,30)(H,31,32)
InChIKeyFIZRATSEMWUPKU-UHFFFAOYSA-N
MW494.49 g/mol
LogP3.32
Rot. Bonds5

About 3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344883) has the molecular formula C23H21F3N10 and a molecular weight of 494.49 g/mol. Its IUPAC name is 3-[4-[4-(1H-imidazol-5-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-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344883
Molecular FormulaC23H21F3N10
Molecular Weight494.49 g/mol
Exact Mass494.19
IUPAC Name3-[4-[4-(1H-imidazol-5-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(Cc5cnc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-29-10-18(36(20)11-16)22-28-4-3-21(33-22)35-6-5-34(12-17-9-27-14-30-17)19(13-35)15-7-31-32-8-15/h1-4,7-11,14,19H,5-6,12-13H2,(H,27,30)(H,31,32)
InChIKeyFIZRATSEMWUPKU-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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1H-imidazol-5-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-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344883) is 3-[4-[4-(1H-imidazol-5-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-5-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-5-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(Cc5cnc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is FIZRATSEMWUPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N10/c24-23(25,26)16-1-2-20-29-10-18(36(20)11-16)22-28-4-3-21(33-22)35-6-5-34(12-17-9-27-14-30-17)19(13-35)15-7-31-32-8-15/h1-4,7-11,14,19H,5-6,12-13H2,(H,27,30)(H,31,32).
What are the key properties of 3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-(1H-imidazol-5-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-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).