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

C24H22FN5O2 — CID 70245525

IUPAC5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4cccc(N)c4)cccc3n2)ccc1F
InChIInChI=1S/C24H22FN5O2/c1-15-10-17(8-9-19(15)25)13-27-23(31)20-14-30-21(6-3-7-22(30)29-20)24(32)28-12-16-4-2-5-18(26)11-16/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)
InChIKeyYIIIEHYTDJCDMU-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.22
Rot. Bonds6

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

5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 70245525) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID70245525
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4cccc(N)c4)cccc3n2)ccc1F
InChIInChI=1S/C24H22FN5O2/c1-15-10-17(8-9-19(15)25)13-27-23(31)20-14-30-21(6-3-7-22(30)29-20)24(32)28-12-16-4-2-5-18(26)11-16/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)
InChIKeyYIIIEHYTDJCDMU-UHFFFAOYSA-N
XLogP3.22
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 69084423
methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
CID 70249523
4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
CID 44519971
2-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 140605964
4-[[[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 44519967
7-N-benzyl-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463006
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462500
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 70245525) is 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is Cc1cc(CNC(=O)c2cn3c(C(=O)NCc4cccc(N)c4)cccc3n2)ccc1F.
What is the InChIKey of 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is YIIIEHYTDJCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-10-17(8-9-19(15)25)13-27-23(31)20-14-30-21(6-3-7-22(30)29-20)24(32)28-12-16-4-2-5-18(26)11-16/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 70245525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).