N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid

C21H22F4N6O3 — CID 166265470

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)CN2CCn3c(cnc3C)C2)n(-c2ccccc2F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21FN6O.C2HF3O2/c1-13-9-18(26(23-13)17-6-4-3-5-16(17)20)22-19(27)12-24-7-8-25-14(2)21-10-15(25)11-24;3-2(4,5)1(6)7/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,27);(H,6,7)
InChIKeyDFAIEFLBDFDHKY-UHFFFAOYSA-N
MW482.44 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 166265470) has the molecular formula C21H22F4N6O3 and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID166265470
Molecular FormulaC21H22F4N6O3
Molecular Weight482.44 g/mol
Exact Mass482.17
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)CN2CCn3c(cnc3C)C2)n(-c2ccccc2F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21FN6O.C2HF3O2/c1-13-9-18(26(23-13)17-6-4-3-5-16(17)20)22-19(27)12-24-7-8-25-14(2)21-10-15(25)11-24;3-2(4,5)1(6)7/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,27);(H,6,7)
InChIKeyDFAIEFLBDFDHKY-UHFFFAOYSA-N
XLogP2.91
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid (CID 166265470) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)CN2CCn3c(cnc3C)C2)n(-c2ccccc2F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is DFAIEFLBDFDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O.C2HF3O2/c1-13-9-18(26(23-13)17-6-4-3-5-16(17)20)22-19(27)12-24-7-8-25-14(2)21-10-15(25)11-24;3-2(4,5)1(6)7/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,27);(H,6,7).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 482.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166265470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).