8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)

C25H31F6N5O6 — CID 11181032

About 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)

8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 11181032) has the molecular formula C25H31F6N5O6 and a molecular weight of 611.54 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 11181032
• Molecular Formula: C25H31F6N5O6
• Molecular Weight: 611.54 g/mol
• Exact Mass: 611.22
• IUPAC Name: 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H29N5O2.2C2HF3O2/c1-6-8-11-25(7-2)17-12-14(3)22-21-20(17)24-18(27)13-26(21)16-9-10-19(28-5)23-15(16)4;2*3-2(4,5)1(6)7/h9-10,12H,6-8,11,13H2,1-5H3,(H,24,27);2*(H,6,7)
• InChIKey: QKFCODODVNHJRU-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 145.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.54
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid) (CID 11181032) is 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid) is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is QKFCODODVNHJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.2C2HF3O2/c1-6-8-11-25(7-2)17-12-14(3)22-21-20(17)24-18(27)13-26(21)16-9-10-19(28-5)23-15(16)4;2*3-2(4,5)1(6)7/h9-10,12H,6-8,11,13H2,1-5H3,(H,24,27);2*(H,6,7).

What are the key properties of 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)?

8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 611.54 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 11181032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).