1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

C26H27F4N7O — CID 170793837

About 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol

1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (PubChem CID 170793837) has the molecular formula C26H27F4N7O and a molecular weight of 529.54 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
• PubChem CID: 170793837
• Molecular Formula: C26H27F4N7O
• Molecular Weight: 529.54 g/mol
• Exact Mass: 529.22
• IUPAC Name: 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
• SMILES: CC(C)(O)Cc1cc2nc(-c3cnn(C(F)F)c3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
• InChI: InChI=1S/C26H27F4N7O/c1-26(2,38)11-19-10-21-22(13-31-19)34-24(23(33-21)17-12-32-37(15-17)25(29)30)36-7-5-35(6-8-36)14-16-3-4-18(27)9-20(16)28/h3-4,9-10,12-13,15,25,38H,5-8,11,14H2,1-2H3
• InChIKey: SGPUOPFYCVRTIS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol (CID 170793837) is 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol.

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

The canonical SMILES for 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is CC(C)(O)Cc1cc2nc(-c3cnn(C(F)F)c3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1.

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

The InChIKey is SGPUOPFYCVRTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N7O/c1-26(2,38)11-19-10-21-22(13-31-19)34-24(23(33-21)17-12-32-37(15-17)25(29)30)36-7-5-35(6-8-36)14-16-3-4-18(27)9-20(16)28/h3-4,9-10,12-13,15,25,38H,5-8,11,14H2,1-2H3.

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

1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol has a molecular weight of 529.54 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 170793837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).