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

C19H20N8O4S2 — CID 159547538

IUPAC4-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
SMILESNS(=O)(=O)c1c(S(=O)(=O)N[C@@H]2CCNC2)ccc(-c2cccn3ccnc23)c1C1=NCN=N1
InChIInChI=1S/C19H20N8O4S2/c20-32(28,29)17-15(33(30,31)26-12-5-6-21-10-12)4-3-13(16(17)18-23-11-24-25-18)14-2-1-8-27-9-7-22-19(14)27/h1-4,7-9,12,21,26H,5-6,10-11H2,(H2,20,28,29)/t12-/m1/s1
InChIKeyMEZGFSOPNCEBOG-GFCCVEGCSA-N
MW488.56 g/mol
LogP0.46
Rot. Bonds6

About 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

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 (PubChem CID 159547538) has the molecular formula C19H20N8O4S2 and a molecular weight of 488.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159547538
Molecular FormulaC19H20N8O4S2
Molecular Weight488.56 g/mol
Exact Mass488.10
IUPAC Name4-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
SMILESNS(=O)(=O)c1c(S(=O)(=O)N[C@@H]2CCNC2)ccc(-c2cccn3ccnc23)c1C1=NCN=N1
InChIInChI=1S/C19H20N8O4S2/c20-32(28,29)17-15(33(30,31)26-12-5-6-21-10-12)4-3-13(16(17)18-23-11-24-25-18)14-2-1-8-27-9-7-22-19(14)27/h1-4,7-9,12,21,26H,5-6,10-11H2,(H2,20,28,29)/t12-/m1/s1
InChIKeyMEZGFSOPNCEBOG-GFCCVEGCSA-N
XLogP0.46
TPSA172.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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
CID 159969053
4-(2-oxopiperidin-1-yl)-1-N-[(3R)-pyrrolidin-3-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
CID 159810828
3-(2-amino-1H-benzimidazol-4-yl)-6-[(3S)-pyrrolidin-3-yl]sulfonyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 159946543
4-(1H-indazol-7-yl)-1-N-pyrrolidin-3-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311576
4-(2-amino-1H-benzimidazol-4-yl)-1-N-pyrrolidin-3-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310679
1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310687
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
4-[2-(1-aminoethyl)-1H-benzimidazol-4-yl]-1-N-[(3R)-pyrrolidin-3-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310933
4-(2-amino-1,3-thiazol-5-yl)-1-N-pyrrolidin-3-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 138610697
4-[3-(dimethylamino)-3-methylazetidin-1-yl]-1-N-[(3R)-pyrrolidin-3-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089259
4-(1H-imidazol-5-ylmethylamino)-1-N-[(3R)-pyrrolidin-3-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 139310489

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NS(=O)(=O)c1c(S(=O)(=O)N[C@@H]2CCNC2)ccc(-c2cccn3ccnc23)c1C1=NCN=N1.
What is the InChIKey of 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?
The InChIKey is MEZGFSOPNCEBOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N8O4S2/c20-32(28,29)17-15(33(30,31)26-12-5-6-21-10-12)4-3-13(16(17)18-23-11-24-25-18)14-2-1-8-27-9-7-22-19(14)27/h1-4,7-9,12,21,26H,5-6,10-11H2,(H2,20,28,29)/t12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 488.56 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159547538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).