N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

C28H26FIN6O3 — CID 70294981

About N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70294981) has the molecular formula C28H26FIN6O3 and a molecular weight of 640.46 g/mol. Its IUPAC name is N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 70294981
• Molecular Formula: C28H26FIN6O3
• Molecular Weight: 640.46 g/mol
• Exact Mass: 640.11
• IUPAC Name: N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CC1=CC=CC2=NC(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(-c5cccc(I)c5)c4=O)CC3)CN12
• InChI: InChI=1S/C28H26FIN6O3/c1-16-4-2-7-24-33-23(15-34(16)24)26(37)32-19-8-10-20(11-9-19)36-27(38)22-12-17(29)14-31-25(22)35(28(36)39)21-6-3-5-18(30)13-21/h2-7,12-14,19-20,23H,8-11,15H2,1H3,(H,32,37)
• InChIKey: LBUCGESTFDLRMO-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 101.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.46
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (CID 70294981) is N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is CC1=CC=CC2=NC(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(-c5cccc(I)c5)c4=O)CC3)CN12.

What is the InChIKey of N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is LBUCGESTFDLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FIN6O3/c1-16-4-2-7-24-33-23(15-34(16)24)26(37)32-19-8-10-20(11-9-19)36-27(38)22-12-17(29)14-31-25(22)35(28(36)39)21-6-3-5-18(30)13-21/h2-7,12-14,19-20,23H,8-11,15H2,1H3,(H,32,37).

What are the key properties of N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 640.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-fluoro-1-(3-iodophenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70294981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).