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

C19H18F3N9 — CID 139358005

IUPAC3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1NCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1c1cn[nH]c1
InChIInChI=1S/C19H18F3N9/c1-11-17(12-6-27-28-7-12)30(5-4-23-11)15-2-3-24-18(29-15)13-8-26-16-9-25-14(10-31(13)16)19(20,21)22/h2-3,6-11,17,23H,4-5H2,1H3,(H,27,28)
InChIKeyRJOWPKNXIWATRF-UHFFFAOYSA-N
MW429.41 g/mol
LogP2.47
Rot. Bonds3

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

3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358005) has the molecular formula C19H18F3N9 and a molecular weight of 429.41 g/mol. Its IUPAC name is 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139358005
Molecular FormulaC19H18F3N9
Molecular Weight429.41 g/mol
Exact Mass429.16
IUPAC Name3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1NCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1c1cn[nH]c1
InChIInChI=1S/C19H18F3N9/c1-11-17(12-6-27-28-7-12)30(5-4-23-11)15-2-3-24-18(29-15)13-8-26-16-9-25-14(10-31(13)16)19(20,21)22/h2-3,6-11,17,23H,4-5H2,1H3,(H,27,28)
InChIKeyRJOWPKNXIWATRF-UHFFFAOYSA-N
XLogP2.47
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139358005) is 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1NCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1c1cn[nH]c1.
What is the InChIKey of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is RJOWPKNXIWATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N9/c1-11-17(12-6-27-28-7-12)30(5-4-23-11)15-2-3-24-18(29-15)13-8-26-16-9-25-14(10-31(13)16)19(20,21)22/h2-3,6-11,17,23H,4-5H2,1H3,(H,27,28).
What are the key properties of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 429.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).