N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide

C29H25F2N7O4 — CID 171854636

About N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide (PubChem CID 171854636) has the molecular formula C29H25F2N7O4 and a molecular weight of 573.56 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide
• PubChem CID: 171854636
• Molecular Formula: C29H25F2N7O4
• Molecular Weight: 573.56 g/mol
• Exact Mass: 573.19
• IUPAC Name: N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide
• SMILES: CC(C)n1cc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)on(-c2ccc(F)cc2)o1
• InChI: InChI=1S/C29H25F2N7O4/c1-17(2)37-16-28(41-38(42-37)22-7-4-20(30)5-8-22)29(39)35-21-6-9-26(24(31)11-21)40-27-10-18-15-34-36(3)25(18)12-23(27)19-13-32-33-14-19/h4-17H,1-3H3,(H,32,33)(H,35,39)
• InChIKey: LBPRXCBBUYQNNK-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 120.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.56
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide?

The IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide (CID 171854636) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)on(-c2ccc(F)cc2)o1.

What is the InChIKey of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide?

The InChIKey is LBPRXCBBUYQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N7O4/c1-17(2)37-16-28(41-38(42-37)22-7-4-20(30)5-8-22)29(39)35-21-6-9-26(24(31)11-21)40-27-10-18-15-34-36(3)25(18)12-23(27)19-13-32-33-14-19/h4-17H,1-3H3,(H,32,33)(H,35,39).

What are the key properties of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide?

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide has a molecular weight of 573.56 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide is sourced from PubChem (CID 171854636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).