[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid

C20H24F3N7O3 — CID 154885764

IUPAC[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)c1cn(C2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7O.C2HF3O2/c1-18(2,3)15-12-25(22-21-15)13-5-9-23(10-6-13)16(26)14-11-24-8-4-7-19-17(24)20-14;3-2(4,5)1(6)7/h4,7-8,11-13H,5-6,9-10H2,1-3H3;(H,6,7)
InChIKeyUDJCWLNTTZONDI-UHFFFAOYSA-N
MW467.45 g/mol
LogP2.73
Rot. Bonds2

About [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid

[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 154885764) has the molecular formula C20H24F3N7O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID154885764
Molecular FormulaC20H24F3N7O3
Molecular Weight467.45 g/mol
Exact Mass467.19
IUPAC Name[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)c1cn(C2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7O.C2HF3O2/c1-18(2,3)15-12-25(22-21-15)13-5-9-23(10-6-13)16(26)14-11-24-8-4-7-19-17(24)20-14;3-2(4,5)1(6)7/h4,7-8,11-13H,5-6,9-10H2,1-3H3;(H,6,7)
InChIKeyUDJCWLNTTZONDI-UHFFFAOYSA-N
XLogP2.73
TPSA118.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 154885764) is [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid is CC(C)(C)c1cn(C2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is UDJCWLNTTZONDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O.C2HF3O2/c1-18(2,3)15-12-25(22-21-15)13-5-9-23(10-6-13)16(26)14-11-24-8-4-7-19-17(24)20-14;3-2(4,5)1(6)7/h4,7-8,11-13H,5-6,9-10H2,1-3H3;(H,6,7).
What are the key properties of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid?
[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 467.45 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).