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

C20H17F5N8O — CID 139359040

IUPAC3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H17F5N8O/c21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25/h1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30)
InChIKeyGBQNLLXJLABRCM-UHFFFAOYSA-N
MW480.40 g/mol
LogP3.53
Rot. Bonds5

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

3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139359040) has the molecular formula C20H17F5N8O and a molecular weight of 480.40 g/mol. Its IUPAC name is 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139359040
Molecular FormulaC20H17F5N8O
Molecular Weight480.40 g/mol
Exact Mass480.14
IUPAC Name3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H17F5N8O/c21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25/h1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30)
InChIKeyGBQNLLXJLABRCM-UHFFFAOYSA-N
XLogP3.53
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(difluoromethoxy)-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-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139359040) is 3-[4-[3-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is GBQNLLXJLABRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N8O/c21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25/h1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30).
What are the key properties of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 480.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).