4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine

C17H15N5O2S — CID 162761045

IUPAC4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C17H15N5O2S/c1-21-11-15(16(18)20-21)13-7-9-19-17-14(13)8-10-22(17)25(23,24)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,20)
InChIKeyXXDXVWZFPZNWDO-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.26
Rot. Bonds3

About 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine (PubChem CID 162761045) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine
PubChem CID162761045
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C17H15N5O2S/c1-21-11-15(16(18)20-21)13-7-9-19-17-14(13)8-10-22(17)25(23,24)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,20)
InChIKeyXXDXVWZFPZNWDO-UHFFFAOYSA-N
XLogP2.26
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine (CID 162761045) is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine is Cn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(N)n1.
What is the InChIKey of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine?
The InChIKey is XXDXVWZFPZNWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-21-11-15(16(18)20-21)13-7-9-19-17-14(13)8-10-22(17)25(23,24)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,20).
What are the key properties of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine?
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine has a molecular weight of 353.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 162761045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).