6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

C37H36FN7O4 — CID 143720317

IUPAC6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNCCOc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(C)cnc43)c2)cc1
InChIInChI=1S/C37H36FN7O4/c1-23-18-31-34(40-20-23)44(29-5-3-4-25(19-29)24-6-13-30(14-7-24)49-17-16-39-2)37(48)45(36(31)47)28-11-9-27(10-12-28)41-35(46)32-22-43-21-26(38)8-15-33(43)42-32/h3-8,13-15,18-22,27-28,39H,9-12,16-17H2,1-2H3,(H,41,46)
InChIKeyLUBGVFHXAQHFHX-UHFFFAOYSA-N
MW661.74 g/mol
LogP4.82
Rot. Bonds9

About 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 143720317) has the molecular formula C37H36FN7O4 and a molecular weight of 661.74 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID143720317
Molecular FormulaC37H36FN7O4
Molecular Weight661.74 g/mol
Exact Mass661.28
IUPAC Name6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNCCOc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(C)cnc43)c2)cc1
InChIInChI=1S/C37H36FN7O4/c1-23-18-31-34(40-20-23)44(29-5-3-4-25(19-29)24-6-13-30(14-7-24)49-17-16-39-2)37(48)45(36(31)47)28-11-9-27(10-12-28)41-35(46)32-22-43-21-26(38)8-15-33(43)42-32/h3-8,13-15,18-22,27-28,39H,9-12,16-17H2,1-2H3,(H,41,46)
InChIKeyLUBGVFHXAQHFHX-UHFFFAOYSA-N
XLogP4.82
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.74
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 143720317) is 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is CNCCOc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(C)cnc43)c2)cc1.
What is the InChIKey of 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LUBGVFHXAQHFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN7O4/c1-23-18-31-34(40-20-23)44(29-5-3-4-25(19-29)24-6-13-30(14-7-24)49-17-16-39-2)37(48)45(36(31)47)28-11-9-27(10-12-28)41-35(46)32-22-43-21-26(38)8-15-33(43)42-32/h3-8,13-15,18-22,27-28,39H,9-12,16-17H2,1-2H3,(H,41,46).
What are the key properties of 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 661.74 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[6-methyl-1-[3-[4-[2-(methylamino)ethoxy]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 143720317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).