3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide

C17H17N5O4S — CID 10362758

IUPAC3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(-c3cnccn3)cc2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H17N5O4S/c18-17(23)15-16(27(24,25)22-5-7-26-8-6-22)12-9-11(1-2-13(12)21-15)14-10-19-3-4-20-14/h1-4,9-10,21H,5-8H2,(H2,18,23)
InChIKeyOOMNHYAZJLBKOT-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.74
Rot. Bonds4

About 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide

3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide (PubChem CID 10362758) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide
PubChem CID10362758
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(-c3cnccn3)cc2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H17N5O4S/c18-17(23)15-16(27(24,25)22-5-7-26-8-6-22)12-9-11(1-2-13(12)21-15)14-10-19-3-4-20-14/h1-4,9-10,21H,5-8H2,(H2,18,23)
InChIKeyOOMNHYAZJLBKOT-UHFFFAOYSA-N
XLogP0.74
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide (CID 10362758) is 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(-c3cnccn3)cc2c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide?
The InChIKey is OOMNHYAZJLBKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c18-17(23)15-16(27(24,25)22-5-7-26-8-6-22)12-9-11(1-2-13(12)21-15)14-10-19-3-4-20-14/h1-4,9-10,21H,5-8H2,(H2,18,23).
What are the key properties of 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide?
3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-5-pyrazin-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 10362758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).