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

C20H20F4N8 — CID 139343346

IUPAC3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@@H]1C[C@H](c2cn[nH]c2F)CN(C2(c3cnc4cnc(C(F)(F)F)cn34)N=CC=CN2)C1
InChIInChI=1S/C20H20F4N8/c1-12-5-13(14-6-29-30-18(14)21)10-31(9-12)20(27-3-2-4-28-20)16-7-26-17-8-25-15(11-32(16)17)19(22,23)24/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,29,30)/t12-,13+,20?/m1/s1
InChIKeyQDPYYJHNAQYFBX-OBIPXCIUSA-N
MW448.43 g/mol
LogP3.03
Rot. Bonds3

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

3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343346) has the molecular formula C20H20F4N8 and a molecular weight of 448.43 g/mol. Its IUPAC name is 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343346
Molecular FormulaC20H20F4N8
Molecular Weight448.43 g/mol
Exact Mass448.17
IUPAC Name3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@@H]1C[C@H](c2cn[nH]c2F)CN(C2(c3cnc4cnc(C(F)(F)F)cn34)N=CC=CN2)C1
InChIInChI=1S/C20H20F4N8/c1-12-5-13(14-6-29-30-18(14)21)10-31(9-12)20(27-3-2-4-28-20)16-7-26-17-8-25-15(11-32(16)17)19(22,23)24/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,29,30)/t12-,13+,20?/m1/s1
InChIKeyQDPYYJHNAQYFBX-OBIPXCIUSA-N
XLogP3.03
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343346) is 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is C[C@@H]1C[C@H](c2cn[nH]c2F)CN(C2(c3cnc4cnc(C(F)(F)F)cn34)N=CC=CN2)C1.
What is the InChIKey of 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is QDPYYJHNAQYFBX-OBIPXCIUSA-N. The full InChI is InChI=1S/C20H20F4N8/c1-12-5-13(14-6-29-30-18(14)21)10-31(9-12)20(27-3-2-4-28-20)16-7-26-17-8-25-15(11-32(16)17)19(22,23)24/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,29,30)/t12-,13+,20?/m1/s1.
What are the key properties of 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 448.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).