4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole

C17H16N6O3S — CID 45269953

IUPAC4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1ccc2ncc(N3CCNCC3)cc21
InChIInChI=1S/C17H16N6O3S/c24-27(25,16-3-1-2-14-17(16)21-26-20-14)23-7-4-13-15(23)10-12(11-19-13)22-8-5-18-6-9-22/h1-4,7,10-11,18H,5-6,8-9H2
InChIKeyALSKTUUSXXIMPF-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.22
Rot. Bonds3

About 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole

4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 45269953) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID45269953
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1ccc2ncc(N3CCNCC3)cc21
InChIInChI=1S/C17H16N6O3S/c24-27(25,16-3-1-2-14-17(16)21-26-20-14)23-7-4-13-15(23)10-12(11-19-13)22-8-5-18-6-9-22/h1-4,7,10-11,18H,5-6,8-9H2
InChIKeyALSKTUUSXXIMPF-UHFFFAOYSA-N
XLogP1.22
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

VU0255035
CID 24768606
3-(Phenylsulfonyl)-7-(1-piperazinyl)-1h-pyrrolo[3,2-b]pyridine
CID 44403277
[1-(2,1,3-Benzoxadiazol-4-ylsulfonyl)azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 70682148
N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3235697
4-(6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
CID 44189142
1-(3-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
CID 45267342
1-(2-nitrophenylsulfonyl)-6-(piperazin-1-yl)-1H-pyrrolo[3,2-b]pyridine
CID 45267357
1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-amine
CID 45267361
1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)ethanone
CID 45269959
1-(2-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
CID 45271586
4-(1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
CID 45272508
1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)-2-(methylamino)ethanone
CID 45272515

Frequently Asked Questions

What is the IUPAC name of 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 45269953) is 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)n1ccc2ncc(N3CCNCC3)cc21.
What is the InChIKey of 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is ALSKTUUSXXIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c24-27(25,16-3-1-2-14-17(16)21-26-20-14)23-7-4-13-15(23)10-12(11-19-13)22-8-5-18-6-9-22/h1-4,7,10-11,18H,5-6,8-9H2.
What are the key properties of 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 384.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 45269953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).