4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

C₈₄H₈₂F₈N₁₈O₆ — CID 158855002

About 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158855002) has the molecular formula C₈₄H₈₂F₈N₁₈O₆ and a molecular weight of 1591.68 g/mol. Its IUPAC name is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 158855002
• Molecular Formula: C₈₄H₈₂F₈N₁₈O₆
• Molecular Weight: 1591.68 g/mol
• Exact Mass: 1590.65
• IUPAC Name: 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• SMILES: CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1)CC(F)(F)F
• InChI: InChI=1S/C28H26F4N6O2.2C28H28F2N6O2/c1-37(15-28(30,31)32)13-22-18(16-7-9-40-14-16)3-5-24(36-22)35-21-4-2-19(20-11-34-27(39)26(20)21)23-12-33-25-10-17(29)6-8-38(23)25;2*1-35(2)14-22-18(17-8-10-38-15-17)4-6-24(34-22)33-21-5-3-19(20-12-32-28(37)26(20)21)23-13-31-25-11-16(27(29)30)7-9-36(23)25/h2-6,8,10,12,16H,7,9,11,13-15H2,1H3,(H,34,39)(H,35,36);2*3-7,9,11,13,17,27H,8,10,12,14-15H2,1-2H3,(H,32,37)(H,33,34)/t16-;2*17-/m010/s1
• InChIKey: IZXZRZKQMSDLJR-ZHCBPVBOSA-N
• XLogP: 14.79
• TPSA: 251.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1591.68
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158855002) is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1)CC(F)(F)F.

What is the InChIKey of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The InChIKey is IZXZRZKQMSDLJR-ZHCBPVBOSA-N. The full InChI is InChI=1S/C28H26F4N6O2.2C28H28F2N6O2/c1-37(15-28(30,31)32)13-22-18(16-7-9-40-14-16)3-5-24(36-22)35-21-4-2-19(20-11-34-27(39)26(20)21)23-12-33-25-10-17(29)6-8-38(23)25;2*1-35(2)14-22-18(17-8-10-38-15-17)4-6-24(34-22)33-21-5-3-19(20-12-32-28(37)26(20)21)23-13-31-25-11-16(27(29)30)7-9-36(23)25/h2-6,8,10,12,16H,7,9,11,13-15H2,1H3,(H,34,39)(H,35,36);2*3-7,9,11,13,17,27H,8,10,12,14-15H2,1-2H3,(H,32,37)(H,33,34)/t16-;2*17-/m010/s1.

What are the key properties of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1591.68 g/mol, XLogP of 14.79, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158855002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158855002 — identifiers, structure, computed properties (public domain)

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