N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C28H20F4N8O3 — CID 118394006

About N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118394006) has the molecular formula C28H20F4N8O3 and a molecular weight of 592.51 g/mol. Its IUPAC name is N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 118394006
• Molecular Formula: C28H20F4N8O3
• Molecular Weight: 592.51 g/mol
• Exact Mass: 592.16
• IUPAC Name: N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• SMILES: Cn1ccc(-c2cc(C(=O)Nc3c4nccc(CN5C(=O)CNC5=O)c4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1
• InChI: InChI=1S/C28H20F4N8O3/c1-38-10-8-21(36-38)17-11-18(20(29)12-19(17)28(30,31)32)26(42)35-25-24-23(37-40(25)16-5-3-2-4-6-16)15(7-9-33-24)14-39-22(41)13-34-27(39)43/h2-12H,13-14H2,1H3,(H,34,43)(H,35,42)
• InChIKey: GXHGCXDPSFWOQQ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 127.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.51
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118394006) is N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c4nccc(CN5C(=O)CNC5=O)c4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1.

What is the InChIKey of N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is GXHGCXDPSFWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N8O3/c1-38-10-8-21(36-38)17-11-18(20(29)12-19(17)28(30,31)32)26(42)35-25-24-23(37-40(25)16-5-3-2-4-6-16)15(7-9-33-24)14-39-22(41)13-34-27(39)43/h2-12H,13-14H2,1H3,(H,34,43)(H,35,42).

What are the key properties of N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 592.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).