7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C87H97F2N21O8 — CID 157191832

IUPAC7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.COCC1(O)CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CC1.COC[C@H]1CN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2CN(C)C)CCO1
InChIInChI=1S/C30H34FN7O3.C29H34N8O3.C28H29FN6O2/c1-36(2)17-23-24(37-12-9-30(40,10-13-37)18-41-3)6-7-26(35-23)34-22-5-4-20(21-15-33-29(39)28(21)22)25-16-32-27-14-19(31)8-11-38(25)27;1-35(2)16-23-24(37-11-12-40-18(15-37)17-39-4)5-6-25(34-23)33-22-14-31-27(21-13-32-29(38)26(21)22)19-7-9-30-28-20(19)8-10-36(28)3;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26/h4-8,11,14,16,40H,9-10,12-13,15,17-18H2,1-3H3,(H,33,39)(H,34,35);5-10,14,18H,11-13,15-17H2,1-4H3,(H,32,38)(H,33,34);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33)/t;18-;/m.1./s1
InChIKeyAPUBZXWVWLZLBE-SKRVEHMLSA-N
MW1602.87 g/mol
LogP10.97
Rot. Bonds22

About 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 157191832) has the molecular formula C87H97F2N21O8 and a molecular weight of 1602.87 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID157191832
Molecular FormulaC87H97F2N21O8
Molecular Weight1602.87 g/mol
Exact Mass1601.78
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.COCC1(O)CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CC1.COC[C@H]1CN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2CN(C)C)CCO1
InChIInChI=1S/C30H34FN7O3.C29H34N8O3.C28H29FN6O2/c1-36(2)17-23-24(37-12-9-30(40,10-13-37)18-41-3)6-7-26(35-23)34-22-5-4-20(21-15-33-29(39)28(21)22)25-16-32-27-14-19(31)8-11-38(25)27;1-35(2)16-23-24(37-11-12-40-18(15-37)17-39-4)5-6-25(34-23)33-22-14-31-27(21-13-32-29(38)26(21)22)19-7-9-30-28-20(19)8-10-36(28)3;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26/h4-8,11,14,16,40H,9-10,12-13,15,17-18H2,1-3H3,(H,33,39)(H,34,35);5-10,14,18H,11-13,15-17H2,1-4H3,(H,32,38)(H,33,34);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33)/t;18-;/m.1./s1
InChIKeyAPUBZXWVWLZLBE-SKRVEHMLSA-N
XLogP10.97
TPSA300.72 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.87
LogP ≤ 510.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 157191832) is 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.COCC1(O)CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CC1.COC[C@H]1CN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2CN(C)C)CCO1.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is APUBZXWVWLZLBE-SKRVEHMLSA-N. The full InChI is InChI=1S/C30H34FN7O3.C29H34N8O3.C28H29FN6O2/c1-36(2)17-23-24(37-12-9-30(40,10-13-37)18-41-3)6-7-26(35-23)34-22-5-4-20(21-15-33-29(39)28(21)22)25-16-32-27-14-19(31)8-11-38(25)27;1-35(2)16-23-24(37-11-12-40-18(15-37)17-39-4)5-6-25(34-23)33-22-14-31-27(21-13-32-29(38)26(21)22)19-7-9-30-28-20(19)8-10-36(28)3;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26/h4-8,11,14,16,40H,9-10,12-13,15,17-18H2,1-3H3,(H,33,39)(H,34,35);5-10,14,18H,11-13,15-17H2,1-4H3,(H,32,38)(H,33,34);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33)/t;18-;/m.1./s1.
What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1602.87 g/mol, XLogP of 10.97, 22 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-5-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157191832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).