2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

C32H31N7O4 — CID 175993488

About 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (PubChem CID 175993488) has the molecular formula C32H31N7O4 and a molecular weight of 577.65 g/mol. Its IUPAC name is 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
• PubChem CID: 175993488
• Molecular Formula: C32H31N7O4
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.24
• IUPAC Name: 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
• SMILES: C[C@@H](Nc1ncc(N2CCOCC2)n(CC(=O)NCc2cc3cnccc3[nH]2)c1=O)c1ccc2oc3ccccc3c2c1
• InChI: InChI=1S/C32H31N7O4/c1-20(21-6-7-28-25(15-21)24-4-2-3-5-27(24)43-28)36-31-32(41)39(30(18-35-31)38-10-12-42-13-11-38)19-29(40)34-17-23-14-22-16-33-9-8-26(22)37-23/h2-9,14-16,18,20,37H,10-13,17,19H2,1H3,(H,34,40)(H,35,36)/t20-/m1/s1
• InChIKey: QZWIEFZUZAUQDV-HXUWFJFHSA-N
• XLogP: 4.35
• TPSA: 130.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (CID 175993488) is 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is C[C@@H](Nc1ncc(N2CCOCC2)n(CC(=O)NCc2cc3cnccc3[nH]2)c1=O)c1ccc2oc3ccccc3c2c1.

What is the InChIKey of 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The InChIKey is QZWIEFZUZAUQDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H31N7O4/c1-20(21-6-7-28-25(15-21)24-4-2-3-5-27(24)43-28)36-31-32(41)39(30(18-35-31)38-10-12-42-13-11-38)19-29(40)34-17-23-14-22-16-33-9-8-26(22)37-23/h2-9,14-16,18,20,37H,10-13,17,19H2,1H3,(H,34,40)(H,35,36)/t20-/m1/s1.

What are the key properties of 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide has a molecular weight of 577.65 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 175993488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).