4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H13N3O2S — CID 56873902

IUPAC4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)10-4-2-9(3-5-10)12-8-13(15)17-14-11(12)6-7-16-14/h2-8H,1H3,(H3,15,16,17)
InChIKeyWFJDUSOQTBPQOO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.22
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56873902) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56873902
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)10-4-2-9(3-5-10)12-8-13(15)17-14-11(12)6-7-16-14/h2-8H,1H3,(H3,15,16,17)
InChIKeyWFJDUSOQTBPQOO-UHFFFAOYSA-N
XLogP2.22
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56873902) is 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is CS(=O)(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is WFJDUSOQTBPQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-20(18,19)10-4-2-9(3-5-10)12-8-13(15)17-14-11(12)6-7-16-14/h2-8H,1H3,(H3,15,16,17).
What are the key properties of 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 287.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56873902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).