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

C17H20N10O4S2 — CID 135310687

IUPAC1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESNCC(N)CNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H20N10O4S2/c18-8-10(19)9-22-33(30,31)13-4-3-11(12-2-1-6-27-7-5-21-17(12)27)14(15(13)32(20,28)29)16-23-25-26-24-16/h1-7,10,22H,8-9,18-19H2,(H2,20,28,29)(H,23,24,25,26)
InChIKeyUPTYLORMCUHQQZ-UHFFFAOYSA-N
MW492.55 g/mol
LogP-1.61
Rot. Bonds8

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

1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 135310687) has the molecular formula C17H20N10O4S2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
PubChem CID135310687
Molecular FormulaC17H20N10O4S2
Molecular Weight492.55 g/mol
Exact Mass492.11
IUPAC Name1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESNCC(N)CNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H20N10O4S2/c18-8-10(19)9-22-33(30,31)13-4-3-11(12-2-1-6-27-7-5-21-17(12)27)14(15(13)32(20,28)29)16-23-25-26-24-16/h1-7,10,22H,8-9,18-19H2,(H2,20,28,29)(H,23,24,25,26)
InChIKeyUPTYLORMCUHQQZ-UHFFFAOYSA-N
XLogP-1.61
TPSA230.13 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(2-amino-1H-benzimidazol-4-yl)-1-N-[(2R)-2,3-diaminopropyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311053
1-N-(2-amino-3-hydroxypropyl)-4-(1H-benzimidazol-4-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311152
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
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-imidazol-1-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 138740473
(2R)-2-amino-N-[3-[4-(2-aminoethylsulfamoyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-hydroxypropanamide
CID 135311893
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
4-(2-amino-1,3-benzothiazol-4-yl)-1-N-(2-amino-3,3-difluoropropyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;formic acid
CID 171930636
8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 135150057
4-[2-(2-aminoethylamino)-4-pyridinyl]-1-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311300
4-[4-(1-aminoethyl)piperidin-1-yl]-1-N-[(2R)-3-amino-2-hydroxypropyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089608
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-[3-(aminomethyl)-2,5-dihydropyrrol-1-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 137424860
4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-1-N-(1-aminopropan-2-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311369

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (CID 135310687) is 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is NCC(N)CNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is UPTYLORMCUHQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10O4S2/c18-8-10(19)9-22-33(30,31)13-4-3-11(12-2-1-6-27-7-5-21-17(12)27)14(15(13)32(20,28)29)16-23-25-26-24-16/h1-7,10,22H,8-9,18-19H2,(H2,20,28,29)(H,23,24,25,26).
What are the key properties of 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 492.55 g/mol, XLogP of -1.61, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-diaminopropyl)-4-imidazo[1,2-a]pyridin-8-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 135310687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).