N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C₈₉H₇₇ClN₂₀O₈S — CID 158446666

About N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 158446666) has the molecular formula C₈₉H₇₇ClN₂₀O₈S and a molecular weight of 1622.25 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
• PubChem CID: 158446666
• Molecular Formula: C₈₉H₇₇ClN₂₀O₈S
• Molecular Weight: 1622.25 g/mol
• Exact Mass: 1620.56
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
• SMILES: CS(=O)(=O)c1cccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)c1.O=C(NC1CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NC1CCCC1)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1.O=C(NCc1ccccc1Cl)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
• InChI: InChI=1S/C26H20ClN5O2.C22H22N6O.C22H19N5O2.C19H16N4O3S/c27-21-4-2-1-3-19(21)16-30-26(34)17-5-7-20(8-6-17)31-22-9-10-23(32-14-13-29-25(22)32)18-11-12-28-24(33)15-18;29-22(27-17-3-1-2-4-17)15-5-7-18(8-6-15)26-19-9-10-20(16-13-24-25-14-16)28-12-11-23-21(19)28;28-20-13-15(9-10-23-20)19-8-7-18(21-24-11-12-27(19)21)25-16-3-1-14(2-4-16)22(29)26-17-5-6-17;1-27(25,26)15-4-2-3-14(12-15)22-16-5-6-17(23-10-9-21-19(16)23)13-7-8-20-18(24)11-13/h1-15,31H,16H2,(H,28,33)(H,30,34);5-14,17,26H,1-4H2,(H,24,25)(H,27,29);1-4,7-13,17,25H,5-6H2,(H,23,28)(H,26,29);2-12,22H,1H3,(H,20,24)
• InChIKey: HDLYQCXCOWAQEO-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 366.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.25
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 158446666) is N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CS(=O)(=O)c1cccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)c1.O=C(NC1CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NC1CCCC1)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1.O=C(NCc1ccccc1Cl)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The InChIKey is HDLYQCXCOWAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O2.C22H22N6O.C22H19N5O2.C19H16N4O3S/c27-21-4-2-1-3-19(21)16-30-26(34)17-5-7-20(8-6-17)31-22-9-10-23(32-14-13-29-25(22)32)18-11-12-28-24(33)15-18;29-22(27-17-3-1-2-4-17)15-5-7-18(8-6-15)26-19-9-10-20(16-13-24-25-14-16)28-12-11-23-21(19)28;28-20-13-15(9-10-23-20)19-8-7-18(21-24-11-12-27(19)21)25-16-3-1-14(2-4-16)22(29)26-17-5-6-17;1-27(25,26)15-4-2-3-14(12-15)22-16-5-6-17(23-10-9-21-19(16)23)13-7-8-20-18(24)11-13/h1-15,31H,16H2,(H,28,33)(H,30,34);5-14,17,26H,1-4H2,(H,24,25)(H,27,29);1-4,7-13,17,25H,5-6H2,(H,23,28)(H,26,29);2-12,22H,1H3,(H,20,24).

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1622.25 g/mol, XLogP of 15.32, 20 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(3-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158446666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158446666 — identifiers, structure, computed properties (public domain)

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