N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H21N5O3S — CID 123404184

About N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 123404184) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 123404184
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)C(NS(C)=O)CC4)nc12
• InChI: InChI=1S/C19H21N5O3S/c1-3-20-19(25)14-9-21-18-17(14)23-16(10-22-18)27-12-6-4-11-5-7-15(13(11)8-12)24-28(2)26/h4,6,8-10,15,24H,3,5,7H2,1-2H3,(H,20,25)(H,21,22)
• InChIKey: YIACSRGMFZGUMO-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 123404184) is N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)C(NS(C)=O)CC4)nc12.

What is the InChIKey of N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is YIACSRGMFZGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-20-19(25)14-9-21-18-17(14)23-16(10-22-18)27-12-6-4-11-5-7-15(13(11)8-12)24-28(2)26/h4,6,8-10,15,24H,3,5,7H2,1-2H3,(H,20,25)(H,21,22).

What are the key properties of N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 123404184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).