2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C16H13F6N5O — CID 138562197

IUPAC2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ncc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C16H13F6N5O/c1-7-9(3-8(4-24-7)14(2,28)16(20,21)22)10-5-25-13-12(23)26-11(6-27(10)13)15(17,18)19/h3-6,28H,1-2H3,(H2,23,26)
InChIKeyNAYISRPQBDOZLL-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.47
Rot. Bonds2

About 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562197) has the molecular formula C16H13F6N5O and a molecular weight of 405.30 g/mol. Its IUPAC name is 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562197
Molecular FormulaC16H13F6N5O
Molecular Weight405.30 g/mol
Exact Mass405.10
IUPAC Name2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ncc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C16H13F6N5O/c1-7-9(3-8(4-24-7)14(2,28)16(20,21)22)10-5-25-13-12(23)26-11(6-27(10)13)15(17,18)19/h3-6,28H,1-2H3,(H2,23,26)
InChIKeyNAYISRPQBDOZLL-UHFFFAOYSA-N
XLogP3.47
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 138562197) is 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is Cc1ncc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NAYISRPQBDOZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O/c1-7-9(3-8(4-24-7)14(2,28)16(20,21)22)10-5-25-13-12(23)26-11(6-27(10)13)15(17,18)19/h3-6,28H,1-2H3,(H2,23,26).
What are the key properties of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 405.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).