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

C19H18F3N9 — CID 139344043

IUPAC3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C19H18F3N9/c1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22/h2-7,10-11,13,28H,8-9H2,1H3,(H,26,27)
InChIKeyLDCBLYYOKSBWTQ-UHFFFAOYSA-N
MW429.41 g/mol
LogP2.47
Rot. Bonds3

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

3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139344043) has the molecular formula C19H18F3N9 and a molecular weight of 429.41 g/mol. Its IUPAC name is 3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139344043
Molecular FormulaC19H18F3N9
Molecular Weight429.41 g/mol
Exact Mass429.16
IUPAC Name3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C19H18F3N9/c1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22/h2-7,10-11,13,28H,8-9H2,1H3,(H,26,27)
InChIKeyLDCBLYYOKSBWTQ-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-5-(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-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139344043) is 3-[4-[3-methyl-5-(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-5-(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-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.
What is the InChIKey of 3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is LDCBLYYOKSBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N9/c1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22/h2-7,10-11,13,28H,8-9H2,1H3,(H,26,27).
What are the key properties of 3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-methyl-5-(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-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139344043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).