1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one

C28H29F2N7O2 — CID 174262276

About 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one

1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 174262276) has the molecular formula C28H29F2N7O2 and a molecular weight of 533.58 g/mol. Its IUPAC name is 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 174262276
• Molecular Formula: C28H29F2N7O2
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.24
• IUPAC Name: 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(C)(O)C(=O)c1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(-c3cnn(C4CC4)c3)nc2cn1
• InChI: InChI=1S/C28H29F2N7O2/c1-28(2,39)26(38)23-12-22-24(14-31-23)33-25(18-13-32-37(16-18)20-5-6-20)27(34-22)36-9-7-35(8-10-36)15-17-3-4-19(29)11-21(17)30/h3-4,11-14,16,20,39H,5-10,15H2,1-2H3
• InChIKey: SPTRLPPWUAAWNI-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?

The IUPAC name of 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one (CID 174262276) is 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one.

What is the SMILES notation for 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?

The canonical SMILES for 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(-c3cnn(C4CC4)c3)nc2cn1.

What is the InChIKey of 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?

The InChIKey is SPTRLPPWUAAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O2/c1-28(2,39)26(38)23-12-22-24(14-31-23)33-25(18-13-32-37(16-18)20-5-6-20)27(34-22)36-9-7-35(8-10-36)15-17-3-4-19(29)11-21(17)30/h3-4,11-14,16,20,39H,5-10,15H2,1-2H3.

What are the key properties of 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one?

1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 533.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 174262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).