4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

C52H50F2N12O6 — CID 157113393

About 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 157113393) has the molecular formula C52H50F2N12O6 and a molecular weight of 977.05 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 157113393
• Molecular Formula: C52H50F2N12O6
• Molecular Weight: 977.05 g/mol
• Exact Mass: 976.39
• IUPAC Name: 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• SMILES: C[C@@H](O)[C@@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.C[C@H](O)[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1
• InChI: InChI=1S/2C26H25FN6O3/c2*1-15(34)22-14-32(8-9-36-22)17-2-5-23(28-11-17)31-20-4-3-18(19-12-30-26(35)25(19)20)21-13-29-24-10-16(27)6-7-33(21)24/h2*2-7,10-11,13,15,22,34H,8-9,12,14H2,1H3,(H,28,31)(H,30,35)/t2*15-,22+/m10/s1
• InChIKey: AHCMBQBBTQGHAR-SBDQTZIVSA-N
• XLogP: 6.22
• TPSA: 208.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	977.05
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 157113393) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is C[C@@H](O)[C@@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.C[C@H](O)[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.

What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The InChIKey is AHCMBQBBTQGHAR-SBDQTZIVSA-N. The full InChI is InChI=1S/2C26H25FN6O3/c2*1-15(34)22-14-32(8-9-36-22)17-2-5-23(28-11-17)31-20-4-3-18(19-12-30-26(35)25(19)20)21-13-29-24-10-16(27)6-7-33(21)24/h2*2-7,10-11,13,15,22,34H,8-9,12,14H2,1H3,(H,28,31)(H,30,35)/t2*15-,22+/m10/s1.

What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 977.05 g/mol, XLogP of 6.22, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157113393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).