2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione

C27H26ClN7O3 — CID 174208335

About 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione

2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (PubChem CID 174208335) has the molecular formula C27H26ClN7O3 and a molecular weight of 532.00 g/mol. Its IUPAC name is 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.

Molecular Properties

• Compound Name: 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
• PubChem CID: 174208335
• Molecular Formula: C27H26ClN7O3
• Molecular Weight: 532.00 g/mol
• Exact Mass: 531.18
• IUPAC Name: 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
• SMILES: O=C1CN2CCC=C2C(=O)N1Cc1cc2c(-c3cc(Cl)cc4ccn(CC5CNCCO5)c34)ncnn2c1
• InChI: InChI=1S/C27H26ClN7O3/c28-19-9-18-3-6-33(14-20-11-29-4-7-38-20)26(18)21(10-19)25-23-8-17(13-35(23)31-16-30-25)12-34-24(36)15-32-5-1-2-22(32)27(34)37/h2-3,6,8-10,13,16,20,29H,1,4-5,7,11-12,14-15H2
• InChIKey: OFNNJOMVZQPUTC-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 97.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.00
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?

The IUPAC name of 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (CID 174208335) is 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.

What is the SMILES notation for 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?

The canonical SMILES for 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is O=C1CN2CCC=C2C(=O)N1Cc1cc2c(-c3cc(Cl)cc4ccn(CC5CNCCO5)c34)ncnn2c1.

What is the InChIKey of 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?

The InChIKey is OFNNJOMVZQPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O3/c28-19-9-18-3-6-33(14-20-11-29-4-7-38-20)26(18)21(10-19)25-23-8-17(13-35(23)31-16-30-25)12-34-24(36)15-32-5-1-2-22(32)27(34)37/h2-3,6,8-10,13,16,20,29H,1,4-5,7,11-12,14-15H2.

What are the key properties of 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?

2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione has a molecular weight of 532.00 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 174208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).