4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C29H23F3N16O5S2 — CID 137228872

IUPAC4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1-c1nnn(-c2cc(-c3ccc(N4CCOCC4)nc3)c(-c3nn[nH]n3)c(S(N)(=O)=O)n2)n1
InChIInChI=1S/C29H23F3N16O5S2/c30-29(31,32)24-18-11-14(1-3-19(18)38-39-24)16-5-6-35-27(54(33,49)50)22(16)26-42-46-48(43-26)21-12-17(15-2-4-20(36-13-15)47-7-9-53-10-8-47)23(25-40-44-45-41-25)28(37-21)55(34,51)52/h1-6,11-13H,7-10H2,(H,38,39)(H2,33,49,50)(H2,34,51,52)(H,40,41,44,45)
InChIKeyPPBUIJZUUATMBT-UHFFFAOYSA-N
MW796.74 g/mol
LogP1.05
Rot. Bonds8

About 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 137228872) has the molecular formula C29H23F3N16O5S2 and a molecular weight of 796.74 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID137228872
Molecular FormulaC29H23F3N16O5S2
Molecular Weight796.74 g/mol
Exact Mass796.14
IUPAC Name4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1-c1nnn(-c2cc(-c3ccc(N4CCOCC4)nc3)c(-c3nn[nH]n3)c(S(N)(=O)=O)n2)n1
InChIInChI=1S/C29H23F3N16O5S2/c30-29(31,32)24-18-11-14(1-3-19(18)38-39-24)16-5-6-35-27(54(33,49)50)22(16)26-42-46-48(43-26)21-12-17(15-2-4-20(36-13-15)47-7-9-53-10-8-47)23(25-40-44-45-41-25)28(37-21)55(34,51)52/h1-6,11-13H,7-10H2,(H,38,39)(H2,33,49,50)(H2,34,51,52)(H,40,41,44,45)
InChIKeyPPBUIJZUUATMBT-UHFFFAOYSA-N
XLogP1.05
TPSA298.20 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.74
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118256777
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266006
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400995
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
CID 90400719
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one
CID 170351850
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
CID 90400720

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 137228872) is 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1-c1nnn(-c2cc(-c3ccc(N4CCOCC4)nc3)c(-c3nn[nH]n3)c(S(N)(=O)=O)n2)n1.
What is the InChIKey of 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is PPBUIJZUUATMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N16O5S2/c30-29(31,32)24-18-11-14(1-3-19(18)38-39-24)16-5-6-35-27(54(33,49)50)22(16)26-42-46-48(43-26)21-12-17(15-2-4-20(36-13-15)47-7-9-53-10-8-47)23(25-40-44-45-41-25)28(37-21)55(34,51)52/h1-6,11-13H,7-10H2,(H,38,39)(H2,33,49,50)(H2,34,51,52)(H,40,41,44,45).
What are the key properties of 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 796.74 g/mol, XLogP of 1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 137228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).