7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C25H25N7O2 — CID 159866533

About 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 159866533) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-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-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 159866533
• Molecular Formula: C25H25N7O2
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.21
• IUPAC Name: 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: Cn1ccc2c(-c3ncc(Nc4ccc(C5CCOC5)c(CN)n4)c4c3CNC4=O)ccnc21
• InChI: InChI=1S/C25H25N7O2/c1-32-8-5-17-16(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/h2-5,7-8,12,14H,6,9-11,13,26H2,1H3,(H,29,33)(H,30,31)
• InChIKey: NRUKGTXMDMGTES-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 119.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-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-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 159866533) is 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-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-(aminomethyl)-5-(oxolan-3-yl)-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-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is Cn1ccc2c(-c3ncc(Nc4ccc(C5CCOC5)c(CN)n4)c4c3CNC4=O)ccnc21.

What is the InChIKey of 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is NRUKGTXMDMGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-32-8-5-17-16(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/h2-5,7-8,12,14H,6,9-11,13,26H2,1H3,(H,29,33)(H,30,31).

What are the key properties of 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

7-[[6-(aminomethyl)-5-(oxolan-3-yl)-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 455.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-(aminomethyl)-5-(oxolan-3-yl)-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 159866533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).