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

C24H22FN5O2 — CID 44519791

IUPAC2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)N(C)Cc4ccncc4)cccc3n2)ccc1F
InChIInChI=1S/C24H22FN5O2/c1-16-12-18(6-7-19(16)25)13-27-23(31)20-15-30-21(4-3-5-22(30)28-20)24(32)29(2)14-17-8-10-26-11-9-17/h3-12,15H,13-14H2,1-2H3,(H,27,31)
InChIKeyUWFYIMPBQWICKR-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.38
Rot. Bonds6

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

2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 44519791) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID44519791
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)N(C)Cc4ccncc4)cccc3n2)ccc1F
InChIInChI=1S/C24H22FN5O2/c1-16-12-18(6-7-19(16)25)13-27-23(31)20-15-30-21(4-3-5-22(30)28-20)24(32)29(2)14-17-8-10-26-11-9-17/h3-12,15H,13-14H2,1-2H3,(H,27,31)
InChIKeyUWFYIMPBQWICKR-UHFFFAOYSA-N
XLogP3.38
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 70245525
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44518147
5-N-[[4-(N'-diazenylcarbamimidoyl)phenyl]methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 143894624
methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
CID 70249523
methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 69084423
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55797120
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
7-N-benzyl-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463006

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 44519791) is 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide is Cc1cc(CNC(=O)c2cn3c(C(=O)N(C)Cc4ccncc4)cccc3n2)ccc1F.
What is the InChIKey of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is UWFYIMPBQWICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-16-12-18(6-7-19(16)25)13-27-23(31)20-15-30-21(4-3-5-22(30)28-20)24(32)29(2)14-17-8-10-26-11-9-17/h3-12,15H,13-14H2,1-2H3,(H,27,31).
What are the key properties of 2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide?
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 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-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44519791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).