2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

C19H24F3N5O3 — CID 118744879

IUPAC2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CCCC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O.C2HF3O2/c23-17(10-14-4-1-2-5-14)21-9-8-20-11-15(19-16(20)13-21)12-22-7-3-6-18-22;3-2(4,5)1(6)7/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2;(H,6,7)
InChIKeyAPAAQNHYNDHHHT-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.68
Rot. Bonds4

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

2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744879) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118744879
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC Name2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CCCC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O.C2HF3O2/c23-17(10-14-4-1-2-5-14)21-9-8-20-11-15(19-16(20)13-21)12-22-7-3-6-18-22;3-2(4,5)1(6)7/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2;(H,6,7)
InChIKeyAPAAQNHYNDHHHT-UHFFFAOYSA-N
XLogP2.68
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118744879) is 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is O=C(CC1CCCC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is APAAQNHYNDHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.C2HF3O2/c23-17(10-14-4-1-2-5-14)21-9-8-20-11-15(19-16(20)13-21)12-22-7-3-6-18-22;3-2(4,5)1(6)7/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2;(H,6,7).
What are the key properties of 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 427.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).