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

C20H19F3N8O — CID 139359105

IUPAC3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H19F3N8O/c1-32-14-4-12(13-5-27-28-6-13)9-30(10-14)17-2-3-24-19(29-17)15-7-26-18-8-25-16(11-31(15)18)20(21,22)23/h2-3,5-8,11-12,14H,4,9-10H2,1H3,(H,27,28)
InChIKeyWEFZODXMCAZHNP-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.94
Rot. Bonds4

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

3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139359105) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139359105
Molecular FormulaC20H19F3N8O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC Name3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H19F3N8O/c1-32-14-4-12(13-5-27-28-6-13)9-30(10-14)17-2-3-24-19(29-17)15-7-26-18-8-25-16(11-31(15)18)20(21,22)23/h2-3,5-8,11-12,14H,4,9-10H2,1H3,(H,27,28)
InChIKeyWEFZODXMCAZHNP-UHFFFAOYSA-N
XLogP2.94
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139359105) is 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is COC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is WEFZODXMCAZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O/c1-32-14-4-12(13-5-27-28-6-13)9-30(10-14)17-2-3-24-19(29-17)15-7-26-18-8-25-16(11-31(15)18)20(21,22)23/h2-3,5-8,11-12,14H,4,9-10H2,1H3,(H,27,28).
What are the key properties of 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 444.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).