7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one

C20H19N5O3S — CID 25192610

IUPAC7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(S(=O)(=O)n3cc(N4CCNCC4)c4ncccc43)cc2[nH]1
InChIInChI=1S/C20H19N5O3S/c26-19-6-4-14-3-5-15(12-16(14)23-19)29(27,28)25-13-18(24-10-8-21-9-11-24)20-17(25)2-1-7-22-20/h1-7,12-13,21H,8-11H2,(H,23,26)
InChIKeyDVWGUFKSQVETNF-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.52
Rot. Bonds3

About 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one

7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one (PubChem CID 25192610) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
PubChem CID25192610
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(S(=O)(=O)n3cc(N4CCNCC4)c4ncccc43)cc2[nH]1
InChIInChI=1S/C20H19N5O3S/c26-19-6-4-14-3-5-15(12-16(14)23-19)29(27,28)25-13-18(24-10-8-21-9-11-24)20-17(25)2-1-7-22-20/h1-7,12-13,21H,8-11H2,(H,23,26)
InChIKeyDVWGUFKSQVETNF-UHFFFAOYSA-N
XLogP1.52
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one?
The IUPAC name of 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one (CID 25192610) is 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one?
The canonical SMILES for 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one is O=c1ccc2ccc(S(=O)(=O)n3cc(N4CCNCC4)c4ncccc43)cc2[nH]1.
What is the InChIKey of 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one?
The InChIKey is DVWGUFKSQVETNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-19-6-4-14-3-5-15(12-16(14)23-19)29(27,28)25-13-18(24-10-8-21-9-11-24)20-17(25)2-1-7-22-20/h1-7,12-13,21H,8-11H2,(H,23,26).
What are the key properties of 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one?
7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one has a molecular weight of 409.47 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 25192610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).