5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C86H87N17O7 — CID 123870534

About 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 123870534) has the molecular formula C86H87N17O7 and a molecular weight of 1470.75 g/mol. Its IUPAC name is 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 123870534
• Molecular Formula: C86H87N17O7
• Molecular Weight: 1470.75 g/mol
• Exact Mass: 1469.70
• IUPAC Name: 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• SMILES: CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.O=C(CCCN1CCOCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
• InChI: InChI=1S/C29H30N6O2.C29H29N5O3.C28H28N6O2/c1-2-34-14-3-4-23(34)18-32-28(36)19-5-8-22(9-6-19)33-25-11-12-26(35-15-13-30-27(25)35)20-7-10-24-21(16-20)17-31-29(24)37;35-27(2-1-12-33-14-16-37-17-15-33)20-3-6-23(7-4-20)32-25-9-10-26(34-13-11-30-28(25)34)21-5-8-24-22(18-21)19-31-29(24)36;1-2-32-13-15-33(16-14-32)28(36)19-3-6-22(7-4-19)31-24-9-10-25(34-12-11-29-26(24)34)20-5-8-23-21(17-20)18-30-27(23)35/h5-13,15-16,23,33H,2-4,14,17-18H2,1H3,(H,31,37)(H,32,36);3-11,13,18,32H,1-2,12,14-17,19H2,(H,31,36);3-12,17,31H,2,13-16,18H2,1H3,(H,30,35)/t23-;;/m0../s1
• InChIKey: YNRQFKYDMUQVEB-IFUPQEAVSA-N
• XLogP: 12.25
• TPSA: 260.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1470.75
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 123870534) is 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.O=C(CCCN1CCOCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.

What is the InChIKey of 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is YNRQFKYDMUQVEB-IFUPQEAVSA-N. The full InChI is InChI=1S/C29H30N6O2.C29H29N5O3.C28H28N6O2/c1-2-34-14-3-4-23(34)18-32-28(36)19-5-8-22(9-6-19)33-25-11-12-26(35-15-13-30-27(25)35)20-7-10-24-21(16-20)17-31-29(24)37;35-27(2-1-12-33-14-16-37-17-15-33)20-3-6-23(7-4-20)32-25-9-10-26(34-13-11-30-28(25)34)21-5-8-24-22(18-21)19-31-29(24)36;1-2-32-13-15-33(16-14-32)28(36)19-3-6-22(7-4-19)31-24-9-10-25(34-12-11-29-26(24)34)20-5-8-23-21(17-20)18-30-27(23)35/h5-13,15-16,23,33H,2-4,14,17-18H2,1H3,(H,31,37)(H,32,36);3-11,13,18,32H,1-2,12,14-17,19H2,(H,31,36);3-12,17,31H,2,13-16,18H2,1H3,(H,30,35)/t23-;;/m0../s1.

What are the key properties of 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1470.75 g/mol, XLogP of 12.25, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 123870534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).