1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea

C55H49F2N15O8S2 — CID 91284705

About 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea

1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea (PubChem CID 91284705) has the molecular formula C55H49F2N15O8S2 and a molecular weight of 1150.22 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea
• PubChem CID: 91284705
• Molecular Formula: C55H49F2N15O8S2
• Molecular Weight: 1150.22 g/mol
• Exact Mass: 1149.33
• IUPAC Name: 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea
• SMILES: CC(C)n1cc(NC(=O)N(c2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)N(C(=O)Nc2cn(C(C)C)nc2-c2ccc3ncncc3c2)c2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)c(-c2ccc3ncccc3c2)n1
• InChI: InChI=1S/C55H49F2N15O8S2/c1-32(2)69-29-46(52(65-69)35-9-13-44-34(22-35)8-7-19-59-44)63-54(73)71(48-15-11-38(24-42(48)56)79-40-17-20-60-50(26-40)67-81(5,75)76)72(49-16-12-39(25-43(49)57)80-41-18-21-61-51(27-41)68-82(6,77)78)55(74)64-47-30-70(33(3)4)66-53(47)36-10-14-45-37(23-36)28-58-31-62-45/h7-33H,1-6H3,(H,60,67)(H,61,68)(H,63,73)(H,64,74)
• InChIKey: ODAYQMJZACXLKA-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 275.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.22
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea?

The IUPAC name of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea (CID 91284705) is 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea.

What is the SMILES notation for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea?

The canonical SMILES for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)N(c2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)N(C(=O)Nc2cn(C(C)C)nc2-c2ccc3ncncc3c2)c2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2F)c(-c2ccc3ncccc3c2)n1.

What is the InChIKey of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea?

The InChIKey is ODAYQMJZACXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49F2N15O8S2/c1-32(2)69-29-46(52(65-69)35-9-13-44-34(22-35)8-7-19-59-44)63-54(73)71(48-15-11-38(24-42(48)56)79-40-17-20-60-50(26-40)67-81(5,75)76)72(49-16-12-39(25-43(49)57)80-41-18-21-61-51(27-41)68-82(6,77)78)55(74)64-47-30-70(33(3)4)66-53(47)36-10-14-45-37(23-36)28-58-31-62-45/h7-33H,1-6H3,(H,60,67)(H,61,68)(H,63,73)(H,64,74).

What are the key properties of 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea?

1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea has a molecular weight of 1150.22 g/mol, XLogP of 11.15, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-(methanesulfonamido)-4-pyridinyl]oxy]-N-[(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)carbamoyl]anilino]-3-(1-propan-2-yl-3-quinolin-6-ylpyrazol-4-yl)urea is sourced from PubChem (CID 91284705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).