4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide

C80H78N14O6 — CID 157083526

About 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide

4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 157083526) has the molecular formula C80H78N14O6 and a molecular weight of 1331.60 g/mol. Its IUPAC name is 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide
• PubChem CID: 157083526
• Molecular Formula: C80H78N14O6
• Molecular Weight: 1331.60 g/mol
• Exact Mass: 1330.62
• IUPAC Name: 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide
• SMILES: COCCN(C)C(=O)c1ccc(Cc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NC1CCNC1)c1ccc(Cc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=c1cc(-c2ccc(Cc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc[nH]1
• InChI: InChI=1S/C27H25N5O2.C27H26N4O3.C26H27N5O/c33-26(31-22-9-10-28-16-22)18-3-1-17(2-4-18)13-20-6-8-24(32-12-11-29-25(20)32)19-5-7-23-21(14-19)15-30-27(23)34;1-30(13-14-34-2)27(33)19-5-3-18(4-6-19)15-21-8-10-24(31-12-11-28-25(21)31)20-7-9-23-22(16-20)17-29-26(23)32;32-25-18-20(9-10-27-25)24-8-3-21(26-28-11-12-31(24)26)17-19-1-4-22(5-2-19)29-13-15-30(16-14-29)23-6-7-23/h1-8,11-12,14,22,28H,9-10,13,15-16H2,(H,30,34)(H,31,33);3-12,16H,13-15,17H2,1-2H3,(H,29,32);1-5,8-12,18,23H,6-7,13-17H2,(H,27,32)
• InChIKey: ADVCXPVXQUMOFA-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 220.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.60
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide?

The IUPAC name of 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide (CID 157083526) is 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide.

What is the SMILES notation for 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide?

The canonical SMILES for 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide is COCCN(C)C(=O)c1ccc(Cc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NC1CCNC1)c1ccc(Cc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=c1cc(-c2ccc(Cc3ccc(N4CCN(C5CC5)CC4)cc3)c3nccn23)cc[nH]1.

What is the InChIKey of 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide?

The InChIKey is ADVCXPVXQUMOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C27H26N4O3.C26H27N5O/c33-26(31-22-9-10-28-16-22)18-3-1-17(2-4-18)13-20-6-8-24(32-12-11-29-25(20)32)19-5-7-23-21(14-19)15-30-27(23)34;1-30(13-14-34-2)27(33)19-5-3-18(4-6-19)15-21-8-10-24(31-12-11-28-25(21)31)20-7-9-23-22(16-20)17-29-26(23)32;32-25-18-20(9-10-27-25)24-8-3-21(26-28-11-12-31(24)26)17-19-1-4-22(5-2-19)29-13-15-30(16-14-29)23-6-7-23/h1-8,11-12,14,22,28H,9-10,13,15-16H2,(H,30,34)(H,31,33);3-12,16H,13-15,17H2,1-2H3,(H,29,32);1-5,8-12,18,23H,6-7,13-17H2,(H,27,32).

What are the key properties of 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide?

4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 1331.60 g/mol, XLogP of 10.05, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 157083526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).