ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid

C24H22N4O3 — CID 143681962

IUPACethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
SMILESCC.O=C(O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H16N4O3.C2H6/c27-21-17-6-3-14(11-15(17)12-24-21)19-8-7-18(20-23-9-10-26(19)20)25-16-4-1-13(2-5-16)22(28)29;1-2/h1-11,25H,12H2,(H,24,27)(H,28,29);1-2H3
InChIKeyFAFHMSNZQMBLMP-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.71
Rot. Bonds4

About ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid

ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid (PubChem CID 143681962) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid.

Molecular Properties

Compound Nameethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
PubChem CID143681962
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Nameethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
SMILESCC.O=C(O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H16N4O3.C2H6/c27-21-17-6-3-14(11-15(17)12-24-21)19-8-7-18(20-23-9-10-26(19)20)25-16-4-1-13(2-5-16)22(28)29;1-2/h1-11,25H,12H2,(H,24,27)(H,28,29);1-2H3
InChIKeyFAFHMSNZQMBLMP-UHFFFAOYSA-N
XLogP4.71
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988165
5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 24990032
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046113
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046201
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988166
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 67120782
N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 58046117
5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
CID 67120783
4-[8-[4-(piperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 58046249

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The IUPAC name of ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid (CID 143681962) is ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid.
What is the SMILES notation for ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The canonical SMILES for ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid is CC.O=C(O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The InChIKey is FAFHMSNZQMBLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3.C2H6/c27-21-17-6-3-14(11-15(17)12-24-21)19-8-7-18(20-23-9-10-26(19)20)25-16-4-1-13(2-5-16)22(28)29;1-2/h1-11,25H,12H2,(H,24,27)(H,28,29);1-2H3.
What are the key properties of ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid has a molecular weight of 414.47 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid is sourced from PubChem (CID 143681962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).