5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol

C20H21F3N8O — CID 153331131

IUPAC5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccn[nH]1.OC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O.C4H6N2/c17-16(18,19)12-9-25-11(6-22-14(25)7-21-12)15-20-4-3-13(23-15)24-5-1-2-10(26)8-24;1-4-2-3-5-6-4/h3-4,6-7,9-10,26H,1-2,5,8H2;2-3H,1H3,(H,5,6)
InChIKeyQITISQSNYYFFOX-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.88
Rot. Bonds2

About 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol

5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 153331131) has the molecular formula C20H21F3N8O and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID153331131
Molecular FormulaC20H21F3N8O
Molecular Weight446.44 g/mol
Exact Mass446.18
IUPAC Name5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccn[nH]1.OC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O.C4H6N2/c17-16(18,19)12-9-25-11(6-22-14(25)7-21-12)15-20-4-3-13(23-15)24-5-1-2-10(26)8-24;1-4-2-3-5-6-4/h3-4,6-7,9-10,26H,1-2,5,8H2;2-3H,1H3,(H,5,6)
InChIKeyQITISQSNYYFFOX-UHFFFAOYSA-N
XLogP2.88
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol (CID 153331131) is 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol is Cc1ccn[nH]1.OC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is QITISQSNYYFFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O.C4H6N2/c17-16(18,19)12-9-25-11(6-22-14(25)7-21-12)15-20-4-3-13(23-15)24-5-1-2-10(26)8-24;1-4-2-3-5-6-4/h3-4,6-7,9-10,26H,1-2,5,8H2;2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 446.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 153331131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).