4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

C25H20F2N4O5 — CID 44519971

IUPAC4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(OC(F)F)c4)cn23)cc1
InChIInChI=1S/C25H20F2N4O5/c26-25(27)36-18-4-1-3-16(11-18)13-28-22(32)19-14-31-20(5-2-6-21(31)30-19)23(33)29-12-15-7-9-17(10-8-15)24(34)35/h1-11,14,25H,12-13H2,(H,28,32)(H,29,33)(H,34,35)
InChIKeyCKDAXOXUODSYAJ-UHFFFAOYSA-N
MW494.45 g/mol
LogP3.49
Rot. Bonds9

About 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 44519971) has the molecular formula C25H20F2N4O5 and a molecular weight of 494.45 g/mol. Its IUPAC name is 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID44519971
Molecular FormulaC25H20F2N4O5
Molecular Weight494.45 g/mol
Exact Mass494.14
IUPAC Name4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(OC(F)F)c4)cn23)cc1
InChIInChI=1S/C25H20F2N4O5/c26-25(27)36-18-4-1-3-16(11-18)13-28-22(32)19-14-31-20(5-2-6-21(31)30-19)23(33)29-12-15-7-9-17(10-8-15)24(34)35/h1-11,14,25H,12-13H2,(H,28,32)(H,29,33)(H,34,35)
InChIKeyCKDAXOXUODSYAJ-UHFFFAOYSA-N
XLogP3.49
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid with MolForge

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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
(1S)-1-[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12000900
(1R)-1-[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 24871778
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
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
5-N-[[4-(N'-diazenylcarbamimidoyl)phenyl]methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 143894624
1-(2-aminoethyl)-N-[[3-(difluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 70763522
2-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 140605964
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
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
[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55343003
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (CID 44519971) is 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4cccc(OC(F)F)c4)cn23)cc1.
What is the InChIKey of 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is CKDAXOXUODSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O5/c26-25(27)36-18-4-1-3-16(11-18)13-28-22(32)19-14-31-20(5-2-6-21(31)30-19)23(33)29-12-15-7-9-17(10-8-15)24(34)35/h1-11,14,25H,12-13H2,(H,28,32)(H,29,33)(H,34,35).
What are the key properties of 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 494.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 44519971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).