5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide

C25H29FN4O2 — CID 44519621

IUPAC5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)N(C)CC4CCCCC4)cccc3n2)ccc1F
InChIInChI=1S/C25H29FN4O2/c1-17-13-19(11-12-20(17)26)14-27-24(31)21-16-30-22(9-6-10-23(30)28-21)25(32)29(2)15-18-7-4-3-5-8-18/h6,9-13,16,18H,3-5,7-8,14-15H2,1-2H3,(H,27,31)
InChIKeyHPKXUCUSRUCLAJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.36
Rot. Bonds6

About 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide

5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 44519621) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID44519621
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)N(C)CC4CCCCC4)cccc3n2)ccc1F
InChIInChI=1S/C25H29FN4O2/c1-17-13-19(11-12-20(17)26)14-27-24(31)21-16-30-22(9-6-10-23(30)28-21)25(32)29(2)15-18-7-4-3-5-8-18/h6,9-13,16,18H,3-5,7-8,14-15H2,1-2H3,(H,27,31)
InChIKeyHPKXUCUSRUCLAJ-UHFFFAOYSA-N
XLogP4.36
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 44519621) is 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide is Cc1cc(CNC(=O)c2cn3c(C(=O)N(C)CC4CCCCC4)cccc3n2)ccc1F.
What is the InChIKey of 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is HPKXUCUSRUCLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-17-13-19(11-12-20(17)26)14-27-24(31)21-16-30-22(9-6-10-23(30)28-21)25(32)29(2)15-18-7-4-3-5-8-18/h6,9-13,16,18H,3-5,7-8,14-15H2,1-2H3,(H,27,31).
What are the key properties of 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide?
5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methylimidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44519621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).