2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

C25H23FN4O3 — CID 44519108

IUPAC2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CO)cc4)cccc3n2)ccc1F
InChIInChI=1S/C25H23FN4O3/c1-16-11-19(9-10-20(16)26)13-27-24(32)21-14-30-22(3-2-4-23(30)29-21)25(33)28-12-17-5-7-18(15-31)8-6-17/h2-11,14,31H,12-13,15H2,1H3,(H,27,32)(H,28,33)
InChIKeyLRFOKVOITKMGHA-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.13
Rot. Bonds7

About 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 44519108) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID44519108
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CO)cc4)cccc3n2)ccc1F
InChIInChI=1S/C25H23FN4O3/c1-16-11-19(9-10-20(16)26)13-27-24(32)21-14-30-22(3-2-4-23(30)29-21)25(33)28-12-17-5-7-18(15-31)8-6-17/h2-11,14,31H,12-13,15H2,1H3,(H,27,32)(H,28,33)
InChIKeyLRFOKVOITKMGHA-UHFFFAOYSA-N
XLogP3.13
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 44519108) is 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is Cc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CO)cc4)cccc3n2)ccc1F.
What is the InChIKey of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is LRFOKVOITKMGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-16-11-19(9-10-20(16)26)13-27-24(32)21-14-30-22(3-2-4-23(30)29-21)25(33)28-12-17-5-7-18(15-31)8-6-17/h2-11,14,31H,12-13,15H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44519108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).