3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C16H16N10O2S2 — CID 135176882

IUPAC3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nc2nccc(-c3ccc(SC4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1
InChIInChI=1S/C16H16N10O2S2/c17-16-21-12-9(3-4-20-15(12)22-16)8-1-2-10(29-7-5-19-6-7)13(30(18,27)28)11(8)14-23-25-26-24-14/h1-4,7,19H,5-6H2,(H2,18,27,28)(H3,17,20,21,22)(H,23,24,25,26)
InChIKeyILLOTCIORHBUEF-UHFFFAOYSA-N
MW444.51 g/mol
LogP0.10
Rot. Bonds5

About 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135176882) has the molecular formula C16H16N10O2S2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135176882
Molecular FormulaC16H16N10O2S2
Molecular Weight444.51 g/mol
Exact Mass444.09
IUPAC Name3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nc2nccc(-c3ccc(SC4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1
InChIInChI=1S/C16H16N10O2S2/c17-16-21-12-9(3-4-20-15(12)22-16)8-1-2-10(29-7-5-19-6-7)13(30(18,27)28)11(8)14-23-25-26-24-14/h1-4,7,19H,5-6H2,(H2,18,27,28)(H3,17,20,21,22)(H,23,24,25,26)
InChIKeyILLOTCIORHBUEF-UHFFFAOYSA-N
XLogP0.10
TPSA194.24 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256964
3-(2-amino-1H-benzimidazol-4-yl)-6-[4-(methylamino)cyclohexyl]sulfanyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145214935
3-(2-amino-1H-benzimidazol-4-yl)-6-(4-aminocyclohexyl)sulfanyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;propa-1,2-diene
CID 145214925
3-(2-amino-1H-benzimidazol-4-yl)-6-(azetidin-3-ylsulfanyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 147446492
3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149657
5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine
CID 145214898
6-(azetidin-3-ylsulfonyl)-3-quinolin-8-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150190
6-(azetidin-3-ylsulfonyl)-3-quinolin-8-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide;formaldehyde
CID 145220005
4-(2-amino-1H-benzimidazol-4-yl)-1-N-methyl-1-N-[(3S)-pyrrolidin-3-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135149999
4-(2-amino-1H-benzimidazol-4-yl)-1-N-pyrrolidin-3-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310679
3-(2-amino-1H-benzimidazol-4-yl)-6-[(3R,5S)-5-(aminomethyl)pyrrolidin-3-yl]sulfinamoyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135310920
4-(2-amino-1,3-thiazol-5-yl)-1-N-pyrrolidin-3-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 138610697

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135176882) is 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1nc2nccc(-c3ccc(SC4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1.
What is the InChIKey of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ILLOTCIORHBUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10O2S2/c17-16-21-12-9(3-4-20-15(12)22-16)8-1-2-10(29-7-5-19-6-7)13(30(18,27)28)11(8)14-23-25-26-24-14/h1-4,7,19H,5-6H2,(H2,18,27,28)(H3,17,20,21,22)(H,23,24,25,26).
What are the key properties of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 444.51 g/mol, XLogP of 0.10, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).