4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

C28H33N7O — CID 177353901

About 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177353901) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
• PubChem CID: 177353901
• Molecular Formula: C28H33N7O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.27
• IUPAC Name: 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
• SMILES: Cc1nc(N)cnc1-c1ccnc2c1cc(CN1CCC(c3ccc(C(=O)N(C)C)cc3)CC1)n2C
• InChI: InChI=1S/C28H33N7O/c1-18-26(31-16-25(29)32-18)23-9-12-30-27-24(23)15-22(34(27)4)17-35-13-10-20(11-14-35)19-5-7-21(8-6-19)28(36)33(2)3/h5-9,12,15-16,20H,10-11,13-14,17H2,1-4H3,(H2,29,32)
• InChIKey: CAXVPAXKACWFQG-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 93.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177353901) is 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is Cc1nc(N)cnc1-c1ccnc2c1cc(CN1CCC(c3ccc(C(=O)N(C)C)cc3)CC1)n2C.

What is the InChIKey of 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The InChIKey is CAXVPAXKACWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-18-26(31-16-25(29)32-18)23-9-12-30-27-24(23)15-22(34(27)4)17-35-13-10-20(11-14-35)19-5-7-21(8-6-19)28(36)33(2)3/h5-9,12,15-16,20H,10-11,13-14,17H2,1-4H3,(H2,29,32).

What are the key properties of 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 483.62 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177353901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).