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

C21H21F3N8 — CID 139344694

IUPAC3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1[nH]ncc1C1NCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H21F3N8/c1-12-15(9-28-30-12)19-13(2)31(8-7-25-19)18-5-6-26-20(29-18)16-10-27-17-4-3-14(11-32(16)17)21(22,23)24/h3-6,9-11,13,19,25H,7-8H2,1-2H3,(H,28,30)
InChIKeyTYSQNQWMYMSMEJ-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.38
Rot. Bonds3

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

3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344694) has the molecular formula C21H21F3N8 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344694
Molecular FormulaC21H21F3N8
Molecular Weight442.45 g/mol
Exact Mass442.18
IUPAC Name3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1[nH]ncc1C1NCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H21F3N8/c1-12-15(9-28-30-12)19-13(2)31(8-7-25-19)18-5-6-26-20(29-18)16-10-27-17-4-3-14(11-32(16)17)21(22,23)24/h3-6,9-11,13,19,25H,7-8H2,1-2H3,(H,28,30)
InChIKeyTYSQNQWMYMSMEJ-UHFFFAOYSA-N
XLogP3.38
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344694) is 3-[4-[2-methyl-3-(5-methyl-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-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1[nH]ncc1C1NCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1C.
What is the InChIKey of 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is TYSQNQWMYMSMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8/c1-12-15(9-28-30-12)19-13(2)31(8-7-25-19)18-5-6-26-20(29-18)16-10-27-17-4-3-14(11-32(16)17)21(22,23)24/h3-6,9-11,13,19,25H,7-8H2,1-2H3,(H,28,30).
What are the key properties of 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 442.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).