3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C27H37N7O3 — CID 129083280

About 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 129083280) has the molecular formula C27H37N7O3 and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
• PubChem CID: 129083280
• Molecular Formula: C27H37N7O3
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.30
• IUPAC Name: 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
• SMILES: Cc1cc(C)c(CNC(O)c2cc(C3=CCN(C(=O)CN(C)C)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C27H37N7O3/c1-16(2)34-25-22(14-29-34)20(26(36)28-13-21-17(3)11-18(4)30-27(21)37)12-23(31-25)19-7-9-33(10-8-19)24(35)15-32(5)6/h7,11-12,14,16,26,28,36H,8-10,13,15H2,1-6H3,(H,30,37)
• InChIKey: UMDCYRAYNJKXEJ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 119.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The IUPAC name of 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 129083280) is 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The canonical SMILES for 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNC(O)c2cc(C3=CCN(C(=O)CN(C)C)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1.

What is the InChIKey of 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The InChIKey is UMDCYRAYNJKXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O3/c1-16(2)34-25-22(14-29-34)20(26(36)28-13-21-17(3)11-18(4)30-27(21)37)12-23(31-25)19-7-9-33(10-8-19)24(35)15-32(5)6/h7,11-12,14,16,26,28,36H,8-10,13,15H2,1-6H3,(H,30,37).

What are the key properties of 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 507.64 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 129083280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).