4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C108H109Cl2N23O6 — CID 157449942

About 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 157449942) has the molecular formula C108H109Cl2N23O6 and a molecular weight of 1896.12 g/mol. Its IUPAC name is 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
• PubChem CID: 157449942
• Molecular Formula: C108H109Cl2N23O6
• Molecular Weight: 1896.12 g/mol
• Exact Mass: 1893.83
• IUPAC Name: 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
• SMILES: CC(C)N1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2Cl)CC1.CCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCOCC5)c(Cl)c4)c4nccn34)cccc21.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C30H28N6O2.C27H30N6O2.C26H24ClN5O.C25H27ClN6O/c37-28-20-24(12-13-31-28)27-11-10-26(29-32-14-15-36(27)29)33-25-8-6-23(7-9-25)30(38)35-18-16-34(17-19-35)21-22-4-2-1-3-5-22;1-3-19(2)31-14-16-32(17-15-31)27(35)20-4-6-22(7-5-20)30-23-8-9-24(33-13-12-29-26(23)33)21-10-11-28-25(34)18-21;1-30-11-9-20-19(3-2-4-23(20)30)24-8-6-22(26-28-10-12-32(24)26)29-18-5-7-25(21(27)17-18)31-13-15-33-16-14-31;1-17(2)30-11-13-31(14-12-30)23-5-3-19(16-20(23)26)29-21-4-6-22(32-10-9-28-25(21)32)18-7-8-27-24(33)15-18/h1-15,20,33H,16-19,21H2,(H,31,37);4-13,18-19,30H,3,14-17H2,1-2H3,(H,28,34);2-12,17,29H,13-16H2,1H3;3-10,15-17,29H,11-14H2,1-2H3,(H,27,33)
• InChIKey: BSRIQZVTIZJECK-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 286.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.12
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The IUPAC name of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 157449942) is 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The canonical SMILES for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CC(C)N1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2Cl)CC1.CCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCOCC5)c(Cl)c4)c4nccn34)cccc21.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The InChIKey is BSRIQZVTIZJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2.C27H30N6O2.C26H24ClN5O.C25H27ClN6O/c37-28-20-24(12-13-31-28)27-11-10-26(29-32-14-15-36(27)29)33-25-8-6-23(7-9-25)30(38)35-18-16-34(17-19-35)21-22-4-2-1-3-5-22;1-3-19(2)31-14-16-32(17-15-31)27(35)20-4-6-22(7-5-20)30-23-8-9-24(33-13-12-29-26(23)33)21-10-11-28-25(34)18-21;1-30-11-9-20-19(3-2-4-23(20)30)24-8-6-22(26-28-10-12-32(24)26)29-18-5-7-25(21(27)17-18)31-13-15-33-16-14-31;1-17(2)30-11-13-31(14-12-30)23-5-3-19(16-20(23)26)29-21-4-6-22(32-10-9-28-25(21)32)18-7-8-27-24(33)15-18/h1-15,20,33H,16-19,21H2,(H,31,37);4-13,18-19,30H,3,14-17H2,1-2H3,(H,28,34);2-12,17,29H,13-16H2,1H3;3-10,15-17,29H,11-14H2,1-2H3,(H,27,33).

What are the key properties of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1896.12 g/mol, XLogP of 18.72, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(3-chloro-4-morpholin-4-ylphenyl)-5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 157449942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).