7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C15H18F3N5O4S — CID 171672649

About 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171672649) has the molecular formula C15H18F3N5O4S and a molecular weight of 421.40 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• PubChem CID: 171672649
• Molecular Formula: C15H18F3N5O4S
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.10
• IUPAC Name: 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=S(=O)(C1CC1)N1CCn2cc(Cn3cccn3)nc2C1
• InChI: InChI=1S/C13H17N5O2S.C2HF3O2/c19-21(20,12-2-3-12)18-7-6-16-8-11(15-13(16)10-18)9-17-5-1-4-14-17;3-2(4,5)1(6)7/h1,4-5,8,12H,2-3,6-7,9-10H2;(H,6,7)
• InChIKey: XAGGHLMMVHCVHT-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 110.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171672649) is 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(C1CC1)N1CCn2cc(Cn3cccn3)nc2C1.

What is the InChIKey of 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

The InChIKey is XAGGHLMMVHCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S.C2HF3O2/c19-21(20,12-2-3-12)18-7-6-16-8-11(15-13(16)10-18)9-17-5-1-4-14-17;3-2(4,5)1(6)7/h1,4-5,8,12H,2-3,6-7,9-10H2;(H,6,7).

What are the key properties of 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?

7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 421.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171672649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).