N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

C18H22F6N6O5 — CID 118746248

IUPACN,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-17(2)14(21)11-18-6-7-19-8-12(16-13(19)10-18)9-20-5-3-4-15-20;2*3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;2*(H,6,7)
InChIKeyGVFFUFQRLNUUPA-UHFFFAOYSA-N
MW516.40 g/mol
LogP1.30
Rot. Bonds4

About N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746248) has the molecular formula C18H22F6N6O5 and a molecular weight of 516.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746248
Molecular FormulaC18H22F6N6O5
Molecular Weight516.40 g/mol
Exact Mass516.16
IUPAC NameN,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-17(2)14(21)11-18-6-7-19-8-12(16-13(19)10-18)9-20-5-3-4-15-20;2*3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;2*(H,6,7)
InChIKeyGVFFUFQRLNUUPA-UHFFFAOYSA-N
XLogP1.30
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 118746248) is N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)CN1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GVFFUFQRLNUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2C2HF3O2/c1-17(2)14(21)11-18-6-7-19-8-12(16-13(19)10-18)9-20-5-3-4-15-20;2*3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 516.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).