4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

C79H76N18O5 — CID 159943943

IUPAC4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)no1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C27H22N6O3.C27H28N6O.C25H26N6O/c1-16-12-21(32-36-16)15-30-26(34)17-2-5-20(6-3-17)31-23-8-9-24(33-11-10-28-25(23)33)18-4-7-22-19(13-18)14-29-27(22)35;28-26(34)20-3-1-19(2-4-20)25-12-11-24(27-29-13-14-33(25)27)30-21-5-7-22(8-6-21)31-15-17-32(18-16-31)23-9-10-23;32-24-17-18(9-10-26-24)23-8-7-22(25-27-11-12-31(23)25)28-19-1-3-20(4-2-19)29-13-15-30(16-14-29)21-5-6-21/h2-13,31H,14-15H2,1H3,(H,29,35)(H,30,34);1-8,11-14,23,30H,9-10,15-18H2,(H2,28,34);1-4,7-12,17,21,28H,5-6,13-16H2,(H,26,32)
InChIKeyOBGANMDRIIHLSU-UHFFFAOYSA-N
MW1357.60 g/mol
LogP12.06
Rot. Bonds17

About 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide (PubChem CID 159943943) has the molecular formula C79H76N18O5 and a molecular weight of 1357.60 g/mol. Its IUPAC name is 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide.

Molecular Properties

Compound Name4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
PubChem CID159943943
Molecular FormulaC79H76N18O5
Molecular Weight1357.60 g/mol
Exact Mass1356.62
IUPAC Name4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)no1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C27H22N6O3.C27H28N6O.C25H26N6O/c1-16-12-21(32-36-16)15-30-26(34)17-2-5-20(6-3-17)31-23-8-9-24(33-11-10-28-25(23)33)18-4-7-22-19(13-18)14-29-27(22)35;28-26(34)20-3-1-19(2-4-20)25-12-11-24(27-29-13-14-33(25)27)30-21-5-7-22(8-6-21)31-15-17-32(18-16-31)23-9-10-23;32-24-17-18(9-10-26-24)23-8-7-22(25-27-11-12-31(23)25)28-19-1-3-20(4-2-19)29-13-15-30(16-14-29)21-5-6-21/h2-13,31H,14-15H2,1H3,(H,29,35)(H,30,34);1-8,11-14,23,30H,9-10,15-18H2,(H2,28,34);1-4,7-12,17,21,28H,5-6,13-16H2,(H,26,32)
InChIKeyOBGANMDRIIHLSU-UHFFFAOYSA-N
XLogP12.06
TPSA261.13 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.60
LogP ≤ 512.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide with MolForge

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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
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
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
5-(2-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(4-oxopentyl)benzamide;4-[8-[4-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 160534978
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-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 71091658
4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
CID 158380247
5-chloro-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
CID 158630009
4-[8-[4-(piperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 58046249
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521
4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
CID 160815480

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The IUPAC name of 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide (CID 159943943) is 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide.
What is the SMILES notation for 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The canonical SMILES for 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide is Cc1cc(CNC(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)no1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The InChIKey is OBGANMDRIIHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3.C27H28N6O.C25H26N6O/c1-16-12-21(32-36-16)15-30-26(34)17-2-5-20(6-3-17)31-23-8-9-24(33-11-10-28-25(23)33)18-4-7-22-19(13-18)14-29-27(22)35;28-26(34)20-3-1-19(2-4-20)25-12-11-24(27-29-13-14-33(25)27)30-21-5-7-22(8-6-21)31-15-17-32(18-16-31)23-9-10-23;32-24-17-18(9-10-26-24)23-8-7-22(25-27-11-12-31(23)25)28-19-1-3-20(4-2-19)29-13-15-30(16-14-29)21-5-6-21/h2-13,31H,14-15H2,1H3,(H,29,35)(H,30,34);1-8,11-14,23,30H,9-10,15-18H2,(H2,28,34);1-4,7-12,17,21,28H,5-6,13-16H2,(H,26,32).
What are the key properties of 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide has a molecular weight of 1357.60 g/mol, XLogP of 12.06, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide is sourced from PubChem (CID 159943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).