1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol

C21H24F3N5O2 — CID 138562361

IUPAC1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(N3CCC(O)CC3)cn12
InChIInChI=1S/C21H24F3N5O2/c1-12-3-4-13(20(2,31)21(22,23)24)9-15(12)16-10-26-19-18(25)27-17(11-29(16)19)28-7-5-14(30)6-8-28/h3-4,9-11,14,30-31H,5-8H2,1-2H3,(H2,25,27)
InChIKeyUPOQEQFRJRHVGQ-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.02
Rot. Bonds3

About 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol

1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol (PubChem CID 138562361) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol
PubChem CID138562361
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(N3CCC(O)CC3)cn12
InChIInChI=1S/C21H24F3N5O2/c1-12-3-4-13(20(2,31)21(22,23)24)9-15(12)16-10-26-19-18(25)27-17(11-29(16)19)28-7-5-14(30)6-8-28/h3-4,9-11,14,30-31H,5-8H2,1-2H3,(H2,25,27)
InChIKeyUPOQEQFRJRHVGQ-UHFFFAOYSA-N
XLogP3.02
TPSA99.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol (CID 138562361) is 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(N3CCC(O)CC3)cn12.
What is the InChIKey of 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol?
The InChIKey is UPOQEQFRJRHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-12-3-4-13(20(2,31)21(22,23)24)9-15(12)16-10-26-19-18(25)27-17(11-29(16)19)28-7-5-14(30)6-8-28/h3-4,9-11,14,30-31H,5-8H2,1-2H3,(H2,25,27).
What are the key properties of 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol?
1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol has a molecular weight of 435.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-4-ol is sourced from PubChem (CID 138562361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).