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

C19H17F3N8 — CID 139358487

IUPAC3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H17F3N8/c1-11-13(6-26-28-11)12-3-5-29(9-12)16-2-4-23-18(27-16)14-7-25-17-8-24-15(10-30(14)17)19(20,21)22/h2,4,6-8,10,12H,3,5,9H2,1H3,(H,26,28)
InChIKeyZZFZUFKKUHVEJX-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.23
Rot. Bonds3

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

3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358487) has the molecular formula C19H17F3N8 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139358487
Molecular FormulaC19H17F3N8
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC Name3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H17F3N8/c1-11-13(6-26-28-11)12-3-5-29(9-12)16-2-4-23-18(27-16)14-7-25-17-8-24-15(10-30(14)17)19(20,21)22/h2,4,6-8,10,12H,3,5,9H2,1H3,(H,26,28)
InChIKeyZZFZUFKKUHVEJX-UHFFFAOYSA-N
XLogP3.23
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139358487) is 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is ZZFZUFKKUHVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8/c1-11-13(6-26-28-11)12-3-5-29(9-12)16-2-4-23-18(27-16)14-7-25-17-8-24-15(10-30(14)17)19(20,21)22/h2,4,6-8,10,12H,3,5,9H2,1H3,(H,26,28).
What are the key properties of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 414.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).