7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C84H87F2N19O7 — CID 157198775

About 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 157198775) has the molecular formula C84H87F2N19O7 and a molecular weight of 1512.74 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 157198775
• Molecular Formula: C84H87F2N19O7
• Molecular Weight: 1512.74 g/mol
• Exact Mass: 1511.70
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1OC1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCCO1.Cn1ccc2c(-c3ncc(Nc4ccc(C5CCOC5)c(CN5CCCC5)n4)c4c3CNC4=O)ccnc21
• InChI: InChI=1S/C29H31N7O2.C28H29FN6O3.C27H27FN6O2/c1-35-12-7-21-20(6-9-30-28(21)35)27-22-14-32-29(37)26(22)23(15-31-27)33-25-5-4-19(18-8-13-38-17-18)24(34-25)16-36-10-2-3-11-36;1-34(2)16-22-24(38-18-8-11-37-12-9-18)5-6-25(33-22)32-21-4-3-19(20-14-31-28(36)27(20)21)23-15-30-26-13-17(29)7-10-35(23)26;1-33(2)15-21-18(23-4-3-11-36-23)6-8-24(32-21)31-20-7-5-17(19-13-30-27(35)26(19)20)22-14-29-25-12-16(28)9-10-34(22)25/h4-7,9,12,15,18H,2-3,8,10-11,13-14,16-17H2,1H3,(H,32,37)(H,33,34);3-7,10,13,15,18H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);5-10,12,14,23H,3-4,11,13,15H2,1-2H3,(H,30,35)(H,31,32)/t;;23-/m..1/s1
• InChIKey: AQOBKRAJBMWZKS-USTQZQJHSA-N
• XLogP: 12.69
• TPSA: 274.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.74
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 157198775) is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1OC1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCCO1.Cn1ccc2c(-c3ncc(Nc4ccc(C5CCOC5)c(CN5CCCC5)n4)c4c3CNC4=O)ccnc21.

What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is AQOBKRAJBMWZKS-USTQZQJHSA-N. The full InChI is InChI=1S/C29H31N7O2.C28H29FN6O3.C27H27FN6O2/c1-35-12-7-21-20(6-9-30-28(21)35)27-22-14-32-29(37)26(22)23(15-31-27)33-25-5-4-19(18-8-13-38-17-18)24(34-25)16-36-10-2-3-11-36;1-34(2)16-22-24(38-18-8-11-37-12-9-18)5-6-25(33-22)32-21-4-3-19(20-14-31-28(36)27(20)21)23-15-30-26-13-17(29)7-10-35(23)26;1-33(2)15-21-18(23-4-3-11-36-23)6-8-24(32-21)31-20-7-5-17(19-13-30-27(35)26(19)20)22-14-29-25-12-16(28)9-10-34(22)25/h4-7,9,12,15,18H,2-3,8,10-11,13-14,16-17H2,1H3,(H,32,37)(H,33,34);3-7,10,13,15,18H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);5-10,12,14,23H,3-4,11,13,15H2,1-2H3,(H,30,35)(H,31,32)/t;;23-/m..1/s1.

What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1512.74 g/mol, XLogP of 12.69, 19 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxy)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157198775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).