4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C26H26FN7O2 — CID 165400289

About 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 165400289) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 165400289
• Molecular Formula: C26H26FN7O2
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.21
• IUPAC Name: 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
• SMILES: CN(C)Cc1cc(Nc2ncc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)cnc1[C@@H]1CCOC1
• InChI: InChI=1S/C26H26FN7O2/c1-33(2)13-16-7-18(9-29-24(16)15-4-6-36-14-15)32-25-23-20(11-31-26(23)35)19(10-30-25)21-12-28-22-8-17(27)3-5-34(21)22/h3,5,7-10,12,15H,4,6,11,13-14H2,1-2H3,(H,30,32)(H,31,35)/t15-/m1/s1
• InChIKey: BERGPCXFKNBOBI-OAHLLOKOSA-N
• XLogP: 3.48
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 165400289) is 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is CN(C)Cc1cc(Nc2ncc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)cnc1[C@@H]1CCOC1.

What is the InChIKey of 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The InChIKey is BERGPCXFKNBOBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-33(2)13-16-7-18(9-29-24(16)15-4-6-36-14-15)32-25-23-20(11-31-26(23)35)19(10-30-25)21-12-28-22-8-17(27)3-5-34(21)22/h3,5,7-10,12,15H,4,6,11,13-14H2,1-2H3,(H,30,32)(H,31,35)/t15-/m1/s1.

What are the key properties of 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 487.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 165400289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).