1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine

C29H38N8O — CID 170062394

About 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine

1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine (PubChem CID 170062394) has the molecular formula C29H38N8O and a molecular weight of 514.68 g/mol. Its IUPAC name is 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine
• PubChem CID: 170062394
• Molecular Formula: C29H38N8O
• Molecular Weight: 514.68 g/mol
• Exact Mass: 514.32
• IUPAC Name: 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine
• SMILES: CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5ccc(N6CCOCC6)c(CN(C)C)c5)nc34)cn2)CC1
• InChI: InChI=1S/C29H38N8O/c1-4-35-9-7-24(8-10-35)37-20-23(16-32-37)25-17-30-29-28(25)33-26(18-31-29)21-5-6-27(22(15-21)19-34(2)3)36-11-13-38-14-12-36/h5-6,15-18,20,24H,4,7-14,19H2,1-3H3,(H,30,31)
• InChIKey: QSGWVTLUINSBEW-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 78.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.68
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine (CID 170062394) is 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine is CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5ccc(N6CCOCC6)c(CN(C)C)c5)nc34)cn2)CC1.

What is the InChIKey of 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine?

The InChIKey is QSGWVTLUINSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O/c1-4-35-9-7-24(8-10-35)37-20-23(16-32-37)25-17-30-29-28(25)33-26(18-31-29)21-5-6-27(22(15-21)19-34(2)3)36-11-13-38-14-12-36/h5-6,15-18,20,24H,4,7-14,19H2,1-3H3,(H,30,31).

What are the key properties of 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine?

1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine has a molecular weight of 514.68 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 170062394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).