N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane

C67H66F2I2N10O11 — CID 160609117

About N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane

N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane (PubChem CID 160609117) has the molecular formula C67H66F2I2N10O11 and a molecular weight of 1479.13 g/mol. Its IUPAC name is N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane.

Molecular Properties

• Compound Name: N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane
• PubChem CID: 160609117
• Molecular Formula: C67H66F2I2N10O11
• Molecular Weight: 1479.13 g/mol
• Exact Mass: 1478.30
• IUPAC Name: N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane
• SMILES: C.C1CCOC1.CC(=O)Nc1cccc(-n2c(=O)n(Cc3ccc(CO)cc3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(Cc2ccc(CO)cc2)c(=O)n3-c2ccc(I)cc2F)c1
• InChI: InChI=1S/2C31H27FIN5O5.C4H8O.CH4/c1-17-27-26(28(36(3)29(17)41)35-25-12-11-21(33)13-24(25)32)30(42)37(15-19-7-9-20(16-39)10-8-19)31(43)38(27)23-6-4-5-22(14-23)34-18(2)40;1-17-27(35-23-6-4-5-22(14-23)34-18(2)40)26-28(36(3)29(17)41)38(25-12-11-21(33)13-24(25)32)31(43)37(30(26)42)15-19-7-9-20(16-39)10-8-19;1-2-4-5-3-1;/h2*4-14,35,39H,15-16H2,1-3H3,(H,34,40);1-4H2;1H4
• InChIKey: RFGRSZGUWMSGIN-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 263.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1479.13
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane?

The IUPAC name of N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane (CID 160609117) is N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane.

What is the SMILES notation for N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane?

The canonical SMILES for N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane is C.C1CCOC1.CC(=O)Nc1cccc(-n2c(=O)n(Cc3ccc(CO)cc3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(Cc2ccc(CO)cc2)c(=O)n3-c2ccc(I)cc2F)c1.

What is the InChIKey of N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane?

The InChIKey is RFGRSZGUWMSGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H27FIN5O5.C4H8O.CH4/c1-17-27-26(28(36(3)29(17)41)35-25-12-11-21(33)13-24(25)32)30(42)37(15-19-7-9-20(16-39)10-8-19)31(43)38(27)23-6-4-5-22(14-23)34-18(2)40;1-17-27(35-23-6-4-5-22(14-23)34-18(2)40)26-28(36(3)29(17)41)38(25-12-11-21(33)13-24(25)32)31(43)37(30(26)42)15-19-7-9-20(16-39)10-8-19;1-2-4-5-3-1;/h2*4-14,35,39H,15-16H2,1-3H3,(H,34,40);1-4H2;1H4.

What are the key properties of N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane?

N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane has a molecular weight of 1479.13 g/mol, XLogP of 9.72, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-fluoro-4-iodoanilino)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;N-[3-[[1-(2-fluoro-4-iodophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;methane;oxolane is sourced from PubChem (CID 160609117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).