N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

C35H35F3N8O6S — CID 169490188

About N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (PubChem CID 169490188) has the molecular formula C35H35F3N8O6S and a molecular weight of 752.78 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• PubChem CID: 169490188
• Molecular Formula: C35H35F3N8O6S
• Molecular Weight: 752.78 g/mol
• Exact Mass: 752.24
• IUPAC Name: N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• SMILES: CC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4nc(N5CCN(S(C)(=O)=O)CC5)ccc4F)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O
• InChI: InChI=1S/C35H35F3N8O6S/c1-21(2)45-20-26(34(48)46(35(45)49)24-7-4-22(36)5-8-24)33(47)40-23-6-10-29(28(38)18-23)52-25-12-13-39-30(19-25)41-32-27(37)9-11-31(42-32)43-14-16-44(17-15-43)53(3,50)51/h4-13,18-19,21,26H,14-17,20H2,1-3H3,(H,40,47)(H,39,41,42)
• InChIKey: QKPHDOCLSIRGIU-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 157.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	752.78
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The IUPAC name of N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490188) is N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4nc(N5CCN(S(C)(=O)=O)CC5)ccc4F)c3)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O.

What is the InChIKey of N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The InChIKey is QKPHDOCLSIRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F3N8O6S/c1-21(2)45-20-26(34(48)46(35(45)49)24-7-4-22(36)5-8-24)33(47)40-23-6-10-29(28(38)18-23)52-25-12-13-39-30(19-25)41-32-27(37)9-11-31(42-32)43-14-16-44(17-15-43)53(3,50)51/h4-13,18-19,21,26H,14-17,20H2,1-3H3,(H,40,47)(H,39,41,42).

What are the key properties of N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide has a molecular weight of 752.78 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[2-[[3-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 169490188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).