(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid

C21H19F3N4O3 — CID 155850799

IUPAC(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18N4O.C2HF3O2/c1-14-4-6-15(7-5-14)19(24)22-9-10-23-17(12-21-18(23)13-22)16-3-2-8-20-11-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7)
InChIKeyJNMFERFZKQQHPM-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.54
Rot. Bonds2

About (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid

(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155850799) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155850799
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18N4O.C2HF3O2/c1-14-4-6-15(7-5-14)19(24)22-9-10-23-17(12-21-18(23)13-22)16-3-2-8-20-11-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7)
InChIKeyJNMFERFZKQQHPM-UHFFFAOYSA-N
XLogP3.54
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid (CID 155850799) is (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is JNMFERFZKQQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C2HF3O2/c1-14-4-6-15(7-5-14)19(24)22-9-10-23-17(12-21-18(23)13-22)16-3-2-8-20-11-16;3-2(4,5)1(6)7/h2-8,11-12H,9-10,13H2,1H3;(H,6,7).
What are the key properties of (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid?
(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 432.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).