1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide

C18H20N8O4S2 — CID 148782587

IUPAC1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(C2=NCN=N2)c1S(N)(=O)=O
InChIInChI=1S/C18H20N8O4S2/c1-11(9-19)25-32(29,30)14-5-4-12(13-3-2-7-26-8-6-21-18(13)26)15(16(14)31(20,27)28)17-22-10-23-24-17/h2-8,11,25H,9-10,19H2,1H3,(H2,20,27,28)/t11-/m1/s1
InChIKeyOKPDYEYLPZVOQV-LLVKDONJSA-N
MW476.54 g/mol
LogP0.44
Rot. Bonds7

About 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide

1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 148782587) has the molecular formula C18H20N8O4S2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
PubChem CID148782587
Molecular FormulaC18H20N8O4S2
Molecular Weight476.54 g/mol
Exact Mass476.10
IUPAC Name1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(C2=NCN=N2)c1S(N)(=O)=O
InChIInChI=1S/C18H20N8O4S2/c1-11(9-19)25-32(29,30)14-5-4-12(13-3-2-7-26-8-6-21-18(13)26)15(16(14)31(20,27)28)17-22-10-23-24-17/h2-8,11,25H,9-10,19H2,1H3,(H2,20,27,28)/t11-/m1/s1
InChIKeyOKPDYEYLPZVOQV-LLVKDONJSA-N
XLogP0.44
TPSA186.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-imidazo[1,2-a]pyridin-8-yl-1-N-[(3R)-pyrrolidin-3-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
CID 159547538
1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
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3-[2-(aminomethyl)-1,3-benzothiazol-4-yl]-6-propylsulfonyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
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4-(2-amino-1-methylbenzimidazol-4-yl)-1-N-[(3S)-pyrrolidin-3-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
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4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-1-N-(1-aminopropan-2-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
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4-(2-amino-1H-benzimidazol-4-yl)-1-N-[(3S)-1-(2-aminoethyl)-1-methylpyrrolidin-1-ium-3-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
CID 159416213
1-N-[(3S)-3-(aminomethyl)pyrrolidin-3-yl]-4-(6-amino-3-pyridinyl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
CID 149108074
3-(2-amino-1H-benzimidazol-4-yl)-6-[(3S)-pyrrolidin-3-yl]sulfonyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
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1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
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3-(2-amino-7-methyl-1,3-benzothiazol-4-yl)-6-(azetidin-3-ylsulfonyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
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4-[4-(2-aminoethyl)piperidin-1-yl]-1-N-(1-aminopropan-2-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide (CID 148782587) is 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide is C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(C2=NCN=N2)c1S(N)(=O)=O.
What is the InChIKey of 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is OKPDYEYLPZVOQV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N8O4S2/c1-11(9-19)25-32(29,30)14-5-4-12(13-3-2-7-26-8-6-21-18(13)26)15(16(14)31(20,27)28)17-22-10-23-24-17/h2-8,11,25H,9-10,19H2,1H3,(H2,20,27,28)/t11-/m1/s1.
What are the key properties of 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 476.54 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2R)-1-aminopropan-2-yl]-4-imidazo[1,2-a]pyridin-8-yl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 148782587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).