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

C41H40ClN9O3 — CID 158630009

IUPAC5-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
SMILESClc1ccc(Nc2ccc(N3CCOCC3)cc2)c2nccn12.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C24H23N5O2.C17H17ClN4O/c25-23(30)18-3-1-17(2-4-18)22-10-9-21(24-26-11-12-29(22)24)27-19-5-7-20(8-6-19)28-13-15-31-16-14-28;18-16-6-5-15(17-19-7-8-22(16)17)20-13-1-3-14(4-2-13)21-9-11-23-12-10-21/h1-12,27H,13-16H2,(H2,25,30);1-8,20H,9-12H2
InChIKeyHZBOKNDMOAHQLI-UHFFFAOYSA-N
MW742.28 g/mol
LogP7.25
Rot. Bonds8

About 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

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 (PubChem CID 158630009) has the molecular formula C41H40ClN9O3 and a molecular weight of 742.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158630009
Molecular FormulaC41H40ClN9O3
Molecular Weight742.28 g/mol
Exact Mass741.29
IUPAC Name5-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
SMILESClc1ccc(Nc2ccc(N3CCOCC3)cc2)c2nccn12.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C24H23N5O2.C17H17ClN4O/c25-23(30)18-3-1-17(2-4-18)22-10-9-21(24-26-11-12-29(22)24)27-19-5-7-20(8-6-19)28-13-15-31-16-14-28;18-16-6-5-15(17-19-7-8-22(16)17)20-13-1-3-14(4-2-13)21-9-11-23-12-10-21/h1-12,27H,13-16H2,(H2,25,30);1-8,20H,9-12H2
InChIKeyHZBOKNDMOAHQLI-UHFFFAOYSA-N
XLogP7.25
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.28
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 24947567
4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
CID 24987060
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57400976
4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023071
5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
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
3-(1-chloropyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461051
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
4-[8-[4-(piperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 58046249
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1ccc(Nc2ccc(N3CCOCC3)cc2)c2nccn12.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1.
What is the InChIKey of 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?
The InChIKey is HZBOKNDMOAHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C17H17ClN4O/c25-23(30)18-3-1-17(2-4-18)22-10-9-21(24-26-11-12-29(22)24)27-19-5-7-20(8-6-19)28-13-15-31-16-14-28;18-16-6-5-15(17-19-7-8-22(16)17)20-13-1-3-14(4-2-13)21-9-11-23-12-10-21/h1-12,27H,13-16H2,(H2,25,30);1-8,20H,9-12H2.
What are the key properties of 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?
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 has a molecular weight of 742.28 g/mol, XLogP of 7.25, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158630009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).