7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C23H23N7O — CID 156652153

About 7-[[6-[(dimethylamino)methyl]-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]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 156652153) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 156652153
• Molecular Formula: C23H23N7O
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.20
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: CN(C)Cc1cccc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)n1
• InChI: InChI=1S/C23H23N7O/c1-29(2)13-14-5-4-6-19(27-14)28-18-12-25-21(17-11-26-23(31)20(17)18)15-7-9-24-22-16(15)8-10-30(22)3/h4-10,12H,11,13H2,1-3H3,(H,26,31)(H,27,28)
• InChIKey: RTSBOLYCCXPXNZ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 156652153) is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

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

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN(C)Cc1cccc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)n1.

What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is RTSBOLYCCXPXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29(2)13-14-5-4-6-19(27-14)28-18-12-25-21(17-11-26-23(31)20(17)18)15-7-9-24-22-16(15)8-10-30(22)3/h4-10,12H,11,13H2,1-3H3,(H,26,31)(H,27,28).

What are the key properties of 7-[[6-[(dimethylamino)methyl]-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]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 413.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 156652153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).