6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

C30H23Cl3N6O4 — CID 145416464

IUPAC6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12.O=C(O)c1c(NCc2ccccc2Cl)ccc2nccn12
InChIInChI=1S/C15H11Cl2N3O2.C15H12ClN3O2/c16-10-5-9(6-11(17)7-10)8-19-12-1-2-13-18-3-4-20(13)14(12)15(21)22;16-11-4-2-1-3-10(11)9-18-12-5-6-13-17-7-8-19(13)14(12)15(20)21/h1-7,19H,8H2,(H,21,22);1-8,18H,9H2,(H,20,21)
InChIKeyNABXQWJEOSXIDF-UHFFFAOYSA-N
MW637.91 g/mol
LogP7.25
Rot. Bonds8

About 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 145416464) has the molecular formula C30H23Cl3N6O4 and a molecular weight of 637.91 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID145416464
Molecular FormulaC30H23Cl3N6O4
Molecular Weight637.91 g/mol
Exact Mass636.08
IUPAC Name6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12.O=C(O)c1c(NCc2ccccc2Cl)ccc2nccn12
InChIInChI=1S/C15H11Cl2N3O2.C15H12ClN3O2/c16-10-5-9(6-11(17)7-10)8-19-12-1-2-13-18-3-4-20(13)14(12)15(21)22;16-11-4-2-1-3-10(11)9-18-12-5-6-13-17-7-8-19(13)14(12)15(20)21/h1-7,19H,8H2,(H,21,22);1-8,18H,9H2,(H,20,21)
InChIKeyNABXQWJEOSXIDF-UHFFFAOYSA-N
XLogP7.25
TPSA133.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.91
LogP ≤ 57.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 36
CID 5330622
6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169154513
6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155217
6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155292
4-[3-[4-Carboxy-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]propyl]-5-chloro-2-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)benzoic acid
CID 162752122
4-[3-[4-Carboxy-3-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenyl]propyl]-5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 162752400
6-[(4-Fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216308
6-[(2-Chloro-4-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216312
6-[(5-Chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216352
6-[[3-[5-Carboxy-6-[[2-methyl-5-(trifluoromethyl)phenyl]methylamino]indolizin-2-yl]-6-chloro-2-methylphenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216427
6-[[4-Chloro-3-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216433
6-[(3-Bromo-4-fluorophenyl)methylamino]-3-[3-[[(5-carboxyindolizin-6-yl)amino]methyl]-5-chloro-2-methylphenyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216499

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 145416464) is 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12.O=C(O)c1c(NCc2ccccc2Cl)ccc2nccn12.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is NABXQWJEOSXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2.C15H12ClN3O2/c16-10-5-9(6-11(17)7-10)8-19-12-1-2-13-18-3-4-20(13)14(12)15(21)22;16-11-4-2-1-3-10(11)9-18-12-5-6-13-17-7-8-19(13)14(12)15(20)21/h1-7,19H,8H2,(H,21,22);1-8,18H,9H2,(H,20,21).
What are the key properties of 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 637.91 g/mol, XLogP of 7.25, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 145416464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).