8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C21H25F6N5O5 — CID 155862125

About 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155862125) has the molecular formula C21H25F6N5O5 and a molecular weight of 541.45 g/mol. Its IUPAC name is 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155862125
• Molecular Formula: C21H25F6N5O5
• Molecular Weight: 541.45 g/mol
• Exact Mass: 541.18
• IUPAC Name: 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)NC(=O)c1cn2c(n1)C(C)N(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H23N5O.2C2HF3O2/c1-12(2)19-17(23)15-11-22-8-7-21(13(3)16(22)20-15)10-14-5-4-6-18-9-14;2*3-2(4,5)1(6)7/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,23);2*(H,6,7)
• InChIKey: QBMUFYUJPALSBI-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 137.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.45
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155862125) is 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is CC(C)NC(=O)c1cn2c(n1)C(C)N(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is QBMUFYUJPALSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2C2HF3O2/c1-12(2)19-17(23)15-11-22-8-7-21(13(3)16(22)20-15)10-14-5-4-6-18-9-14;2*3-2(4,5)1(6)7/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,23);2*(H,6,7).

What are the key properties of 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 541.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155862125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).