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

C20H18F3N7 — CID 159289603

IUPAC3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC(c5ccn[nH]5)C4)n3)n2c1
InChIInChI=1S/C20H18F3N7/c21-20(22,23)14-3-4-17-25-10-16(30(17)12-14)19-24-7-6-18(27-19)29-9-1-2-13(11-29)15-5-8-26-28-15/h3-8,10,12-13H,1-2,9,11H2,(H,26,28)
InChIKeyFGUKUQGPCGXCOT-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.92
Rot. Bonds3

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

3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 159289603) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID159289603
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC(c5ccn[nH]5)C4)n3)n2c1
InChIInChI=1S/C20H18F3N7/c21-20(22,23)14-3-4-17-25-10-16(30(17)12-14)19-24-7-6-18(27-19)29-9-1-2-13(11-29)15-5-8-26-28-15/h3-8,10,12-13H,1-2,9,11H2,(H,26,28)
InChIKeyFGUKUQGPCGXCOT-UHFFFAOYSA-N
XLogP3.92
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 159289603) is 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC(c5ccn[nH]5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is FGUKUQGPCGXCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c21-20(22,23)14-3-4-17-25-10-16(30(17)12-14)19-24-7-6-18(27-19)29-9-1-2-13(11-29)15-5-8-26-28-15/h3-8,10,12-13H,1-2,9,11H2,(H,26,28).
What are the key properties of 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 413.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159289603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).