5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

C79H77N15O5 — CID 158322233

About 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (PubChem CID 158322233) has the molecular formula C79H77N15O5 and a molecular weight of 1316.58 g/mol. Its IUPAC name is 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
• PubChem CID: 158322233
• Molecular Formula: C79H77N15O5
• Molecular Weight: 1316.58 g/mol
• Exact Mass: 1315.62
• IUPAC Name: 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
• SMILES: CC(=O)c1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1C.CN(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)C1.c1cn2c(-c3ccc4cc[nH]c4c3)ccc(Nc3ccc(N4CCOCC4)cc3)c2n1
• InChI: InChI=1S/C28H28N6O2.C26H26N4O2.C25H23N5O/c1-32(2)22-11-13-33(17-22)28(36)18-3-6-21(7-4-18)31-24-9-10-25(34-14-12-29-26(24)34)19-5-8-23-20(15-19)16-30-27(23)35;1-18-3-4-20(17-23(18)19(2)31)25-10-9-24(26-27-11-12-30(25)26)28-21-5-7-22(8-6-21)29-13-15-32-16-14-29;1-2-19(17-23-18(1)9-10-26-23)24-8-7-22(25-27-11-12-30(24)25)28-20-3-5-21(6-4-20)29-13-15-31-16-14-29/h3-10,12,14-15,22,31H,11,13,16-17H2,1-2H3,(H,30,35);3-12,17,28H,13-16H2,1-2H3;1-12,17,26,28H,13-16H2
• InChIKey: GOZKJTCHBKSFKS-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 198.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.58
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The IUPAC name of 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (CID 158322233) is 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

What is the SMILES notation for 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The canonical SMILES for 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is CC(=O)c1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1C.CN(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)C1.c1cn2c(-c3ccc4cc[nH]c4c3)ccc(Nc3ccc(N4CCOCC4)cc3)c2n1.

What is the InChIKey of 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The InChIKey is GOZKJTCHBKSFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C26H26N4O2.C25H23N5O/c1-32(2)22-11-13-33(17-22)28(36)18-3-6-21(7-4-18)31-24-9-10-25(34-14-12-29-26(24)34)19-5-8-23-20(15-19)16-30-27(23)35;1-18-3-4-20(17-23(18)19(2)31)25-10-9-24(26-27-11-12-30(25)26)28-21-5-7-22(8-6-21)29-13-15-32-16-14-29;1-2-19(17-23-18(1)9-10-26-23)24-8-7-22(25-27-11-12-30(24)25)28-20-3-5-21(6-4-20)29-13-15-31-16-14-29/h3-10,12,14-15,22,31H,11,13,16-17H2,1-2H3,(H,30,35);3-12,17,28H,13-16H2,1-2H3;1-12,17,26,28H,13-16H2.

What are the key properties of 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone has a molecular weight of 1316.58 g/mol, XLogP of 13.92, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-(1H-indol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;1-[2-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 158322233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).