3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C32H32N10O6S2 — CID 135150239

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(S(=O)(=O)C3CNC3)ccc(-c3cccn4nc(N)nc34)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C32H32N10O6S2/c1-47-22-9-5-20(6-10-22)16-35-50(45,46)29-27(49(43,44)24-17-34-18-24)14-13-25(26-4-3-15-41-31(26)36-32(33)39-41)28(29)30-37-40-42(38-30)19-21-7-11-23(48-2)12-8-21/h3-15,24,34-35H,16-19H2,1-2H3,(H2,33,39)
InChIKeyRAVVZHMTGYKBLA-UHFFFAOYSA-N
MW716.81 g/mol
LogP1.92
Rot. Bonds12

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 135150239) has the molecular formula C32H32N10O6S2 and a molecular weight of 716.81 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID135150239
Molecular FormulaC32H32N10O6S2
Molecular Weight716.81 g/mol
Exact Mass716.19
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(S(=O)(=O)C3CNC3)ccc(-c3cccn4nc(N)nc34)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C32H32N10O6S2/c1-47-22-9-5-20(6-10-22)16-35-50(45,46)29-27(49(43,44)24-17-34-18-24)14-13-25(26-4-3-15-41-31(26)36-32(33)39-41)28(29)30-37-40-42(38-30)19-21-7-11-23(48-2)12-8-21/h3-15,24,34-35H,16-19H2,1-2H3,(H2,33,39)
InChIKeyRAVVZHMTGYKBLA-UHFFFAOYSA-N
XLogP1.92
TPSA210.61 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.81
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

tert-butyl N-[2-[4-[4-(2-amino-1H-benzimidazol-4-yl)-2-[(4-methoxyphenyl)methylsulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylpiperidin-1-yl]ethyl]carbamate
CID 140880943
N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 145220091
3-(2-amino-1,3-benzothiazol-4-yl)-6-[(1-aminocyclopropyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 135149585
3-(2-amino-3H-benzimidazol-5-yl)-6-(azetidin-3-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118256890
3-(4-aminocyclohexyl)-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257342
tert-butyl 3-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-(2,3-diamino-4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylazetidine-1-carboxylate
CID 135150326
4-(2-amino-1H-benzimidazol-4-yl)-2-N,2-N-bis[(4-methoxyphenyl)methyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzene-1,2-disulfonamide
CID 135310975
3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257043
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[4-(2-aminophenyl)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylethyl]carbamate
CID 172767455
3-[4-(4-amino-1-methanimidoylpiperidin-4-yl)phenyl]-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-(trifluoromethyl)benzenesulfonamide
CID 118257243
tert-butyl (2S,4R)-4-[4-(2-amino-1,3-benzothiazol-4-yl)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 135149958
benzyl 4-[[4-[4-(1-carbamimidoylazetidin-3-yl)phenyl]-2-[(4-methoxyphenyl)methylsulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]methyl]piperidine-1-carboxylate
CID 118256789

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 135150239) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2c(S(=O)(=O)C3CNC3)ccc(-c3cccn4nc(N)nc34)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is RAVVZHMTGYKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N10O6S2/c1-47-22-9-5-20(6-10-22)16-35-50(45,46)29-27(49(43,44)24-17-34-18-24)14-13-25(26-4-3-15-41-31(26)36-32(33)39-41)28(29)30-37-40-42(38-30)19-21-7-11-23(48-2)12-8-21/h3-15,24,34-35H,16-19H2,1-2H3,(H2,33,39).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 716.81 g/mol, XLogP of 1.92, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 135150239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).