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

C20H19F3N8 — CID 139365188

IUPAC3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C20H19F3N8/c1-12-9-30(11-16(28-12)13-6-26-27-7-13)19-24-5-4-15(29-19)17-8-25-18-3-2-14(10-31(17)18)20(21,22)23/h2-8,10,12,16,28H,9,11H2,1H3,(H,26,27)
InChIKeyPPNLBKMSYUVYDE-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.07
Rot. Bonds3

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

3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139365188) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139365188
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C20H19F3N8/c1-12-9-30(11-16(28-12)13-6-26-27-7-13)19-24-5-4-15(29-19)17-8-25-18-3-2-14(10-31(17)18)20(21,22)23/h2-8,10,12,16,28H,9,11H2,1H3,(H,26,27)
InChIKeyPPNLBKMSYUVYDE-UHFFFAOYSA-N
XLogP3.07
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139365188) is 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.
What is the InChIKey of 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is PPNLBKMSYUVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8/c1-12-9-30(11-16(28-12)13-6-26-27-7-13)19-24-5-4-15(29-19)17-8-25-18-3-2-14(10-31(17)18)20(21,22)23/h2-8,10,12,16,28H,9,11H2,1H3,(H,26,27).
What are the key properties of 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 428.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139365188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).