4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C109H109FN24O6 — CID 158076092

About 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 158076092) has the molecular formula C109H109FN24O6 and a molecular weight of 1870.23 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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
• PubChem CID: 158076092
• Molecular Formula: C109H109FN24O6
• Molecular Weight: 1870.23 g/mol
• Exact Mass: 1868.89
• 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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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)cc2)CC1.CCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccc(F)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C30H27FN6O2.C30H28N6O2.C25H28N6O.C24H26N6O/c31-24-5-1-21(2-6-24)20-35-15-17-36(18-16-35)30(39)22-3-7-25(8-4-22)34-26-9-10-27(37-14-13-33-29(26)37)23-11-12-32-28(38)19-23;37-28-20-24(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;1-18(2)29-13-15-30(16-14-29)21-5-3-20(4-6-21)28-22-7-8-23(31-12-11-27-25(22)31)19-9-10-26-24(32)17-19;1-2-28-13-15-29(16-14-28)20-5-3-19(4-6-20)27-21-7-8-22(30-12-11-26-24(21)30)18-9-10-25-23(31)17-18/h1-14,19,34H,15-18,20H2,(H,32,38);1-15,20,33H,16-19,21H2,(H,31,37);3-12,17-18,28H,13-16H2,1-2H3,(H,26,32);3-12,17,27H,2,13-16H2,1H3,(H,25,31)
• InChIKey: FMJSSHBMHPLYQS-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 308.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.23
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	8
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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 158076092) is 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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)cc2)CC1.CCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccc(F)cc2)CC1.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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?

The InChIKey is FMJSSHBMHPLYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2.C30H28N6O2.C25H28N6O.C24H26N6O/c31-24-5-1-21(2-6-24)20-35-15-17-36(18-16-35)30(39)22-3-7-25(8-4-22)34-26-9-10-27(37-14-13-33-29(26)37)23-11-12-32-28(38)19-23;37-28-20-24(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;1-18(2)29-13-15-30(16-14-29)21-5-3-20(4-6-21)28-22-7-8-23(31-12-11-27-25(22)31)19-9-10-26-24(32)17-19;1-2-28-13-15-29(16-14-28)20-5-3-19(4-6-20)27-21-7-8-22(30-12-11-26-24(21)30)18-9-10-25-23(31)17-18/h1-14,19,34H,15-18,20H2,(H,32,38);1-15,20,33H,16-19,21H2,(H,31,37);3-12,17-18,28H,13-16H2,1-2H3,(H,26,32);3-12,17,27H,2,13-16H2,1H3,(H,25,31).

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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1870.23 g/mol, XLogP of 16.46, 22 rotatable bonds, 8 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-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158076092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).