5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

C17H20N6O3S — CID 118368194

IUPAC5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)CC(N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O3S/c1-27(25,26)9-11(18)7-20-14-8-21-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,20,23)
InChIKeyNGLADMJMHHLLNU-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.51
Rot. Bonds7

About 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (PubChem CID 118368194) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
PubChem CID118368194
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)CC(N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O3S/c1-27(25,26)9-11(18)7-20-14-8-21-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,20,23)
InChIKeyNGLADMJMHHLLNU-UHFFFAOYSA-N
XLogP0.51
TPSA156.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (CID 118368194) is 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is CS(=O)(=O)CC(N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NGLADMJMHHLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-27(25,26)9-11(18)7-20-14-8-21-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-methylsulfonylpropyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118368194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).