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

C85H87F2N19O8 — CID 158133112

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

7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158133112) has the molecular formula C85H87F2N19O8 and a molecular weight of 1540.75 g/mol. Its IUPAC name is 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 158133112
• Molecular Formula: C85H87F2N19O8
• Molecular Weight: 1540.75 g/mol
• Exact Mass: 1539.70
• IUPAC Name: 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• SMILES: Cn1ccc2c(-c3ncc(Nc4ccc([C@H]5CCOC5)c(CN)n4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@H]4CCOC4)c(CN4CCC[C@H]4CO)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CCC[C@H]4CO)n3)c21
• InChI: InChI=1S/2C30H31FN6O3.C25H25N7O2/c2*31-19-7-10-37-26(14-32-28(37)12-19)22-3-5-24(29-23(22)13-33-30(29)39)34-27-6-4-21(18-8-11-40-17-18)25(35-27)15-36-9-1-2-20(36)16-38;1-32-8-5-17-16(4-7-27-24(17)32)23-18-11-29-25(33)22(18)20(12-28-23)31-21-3-2-15(19(10-26)30-21)14-6-9-34-13-14/h2*3-7,10,12,14,18,20,38H,1-2,8-9,11,13,15-17H2,(H,33,39)(H,34,35);2-5,7-8,12,14H,6,9-11,13,26H2,1H3,(H,29,33)(H,30,31)/t18-,20+;18-,20-;14-/m100/s1
• InChIKey: FTAGBYNVDXIIQR-BTEPKBRBSA-N
• XLogP: 10.95
• TPSA: 328.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.75
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158133112) is 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

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

The canonical SMILES for 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is Cn1ccc2c(-c3ncc(Nc4ccc([C@H]5CCOC5)c(CN)n4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@H]4CCOC4)c(CN4CCC[C@H]4CO)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CCC[C@H]4CO)n3)c21.

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

The InChIKey is FTAGBYNVDXIIQR-BTEPKBRBSA-N. The full InChI is InChI=1S/2C30H31FN6O3.C25H25N7O2/c2*31-19-7-10-37-26(14-32-28(37)12-19)22-3-5-24(29-23(22)13-33-30(29)39)34-27-6-4-21(18-8-11-40-17-18)25(35-27)15-36-9-1-2-20(36)16-38;1-32-8-5-17-16(4-7-27-24(17)32)23-18-11-29-25(33)22(18)20(12-28-23)31-21-3-2-15(19(10-26)30-21)14-6-9-34-13-14/h2*3-7,10,12,14,18,20,38H,1-2,8-9,11,13,15-17H2,(H,33,39)(H,34,35);2-5,7-8,12,14H,6,9-11,13,26H2,1H3,(H,29,33)(H,30,31)/t18-,20+;18-,20-;14-/m100/s1.

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

7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1540.75 g/mol, XLogP of 10.95, 19 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158133112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).