5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide

C119H130N20O6S2 — CID 162248254

IUPAC5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.CS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cc1C.c1ccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C34H36N6O3S.C33H34N4O.C28H32N4.C24H28N6O2S/c1-25(41)35-29-17-19-31(20-18-29)44(42,43)38-30-15-13-28(14-16-30)32-7-4-8-34-36-33(37-40(32)34)24-27-11-9-26(10-12-27)6-5-23-39-21-2-3-22-39;1-2-9-28(10-3-1)25-38-30-13-6-12-29(24-30)31-14-7-15-33-34-32(35-37(31)33)23-27-18-16-26(17-19-27)11-8-22-36-20-4-5-21-36;1-21-10-15-25(19-22(21)2)26-8-5-9-28-29-27(30-32(26)28)20-24-13-11-23(12-14-24)7-6-18-31-16-3-4-17-31;1-33(31,32)29-18-21(17-25-29)22-7-4-8-24-26-23(27-30(22)24)16-20-11-9-19(10-12-20)6-5-15-28-13-2-3-14-28/h4,7-20,38H,2-3,5-6,21-24H2,1H3,(H,35,41);1-3,6-7,9-10,12-19,24H,4-5,8,11,20-23,25H2;5,8-15,19H,3-4,6-7,16-18,20H2,1-2H3;4,7-12,17-18H,2-3,5-6,13-16H2,1H3
InChIKeyZXQFHTOMPKOOHJ-UHFFFAOYSA-N
MW2000.62 g/mol
LogP21.02
Rot. Bonds36

About 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide

5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 162248254) has the molecular formula C119H130N20O6S2 and a molecular weight of 2000.62 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID162248254
Molecular FormulaC119H130N20O6S2
Molecular Weight2000.62 g/mol
Exact Mass1998.99
IUPAC Name5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.CS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cc1C.c1ccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C34H36N6O3S.C33H34N4O.C28H32N4.C24H28N6O2S/c1-25(41)35-29-17-19-31(20-18-29)44(42,43)38-30-15-13-28(14-16-30)32-7-4-8-34-36-33(37-40(32)34)24-27-11-9-26(10-12-27)6-5-23-39-21-2-3-22-39;1-2-9-28(10-3-1)25-38-30-13-6-12-29(24-30)31-14-7-15-33-34-32(35-37(31)33)23-27-18-16-26(17-19-27)11-8-22-36-20-4-5-21-36;1-21-10-15-25(19-22(21)2)26-8-5-9-28-29-27(30-32(26)28)20-24-13-11-23(12-14-24)7-6-18-31-16-3-4-17-31;1-33(31,32)29-18-21(17-25-29)22-7-4-8-24-26-23(27-30(22)24)16-20-11-9-19(10-12-20)6-5-15-28-13-2-3-14-28/h4,7-20,38H,2-3,5-6,21-24H2,1H3,(H,35,41);1-3,6-7,9-10,12-19,24H,4-5,8,11,20-23,25H2;5,8-15,19H,3-4,6-7,16-18,20H2,1-2H3;4,7-12,17-18H,2-3,5-6,13-16H2,1H3
InChIKeyZXQFHTOMPKOOHJ-UHFFFAOYSA-N
XLogP21.02
TPSA270.18 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.62
LogP ≤ 521.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 157367109
(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157453058
1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 157730110
N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylbutanamide;N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 157904211
6-(4-Tert-butylphenyl)-3-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(4-methylnaphthalen-1-yl)-3-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(4-methylsulfonylphenyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(4-methylsulfonylphenyl)-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 158217721
N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-lambda6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea
CID 158710010
1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 160005681
1-benzyl-N-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 160120055
1-[4-[5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;N-[4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 160450216
N-(furan-3-ylmethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-methyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-methyl-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;5-[4-(pyrazol-1-ylmethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 160590493
N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide
CID 161339968
(3E)-3-[[7-(cyclopropylamino)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-ethylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile;(3E)-3-[[7-(cyclopropylamino)-5-[3-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 162131981

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide (CID 162248254) is 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.CS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cc1C.c1ccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ZXQFHTOMPKOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3S.C33H34N4O.C28H32N4.C24H28N6O2S/c1-25(41)35-29-17-19-31(20-18-29)44(42,43)38-30-15-13-28(14-16-30)32-7-4-8-34-36-33(37-40(32)34)24-27-11-9-26(10-12-27)6-5-23-39-21-2-3-22-39;1-2-9-28(10-3-1)25-38-30-13-6-12-29(24-30)31-14-7-15-33-34-32(35-37(31)33)23-27-18-16-26(17-19-27)11-8-22-36-20-4-5-21-36;1-21-10-15-25(19-22(21)2)26-8-5-9-28-29-27(30-32(26)28)20-24-13-11-23(12-14-24)7-6-18-31-16-3-4-17-31;1-33(31,32)29-18-21(17-25-29)22-7-4-8-24-26-23(27-30(22)24)16-20-11-9-19(10-12-20)6-5-15-28-13-2-3-14-28/h4,7-20,38H,2-3,5-6,21-24H2,1H3,(H,35,41);1-3,6-7,9-10,12-19,24H,4-5,8,11,20-23,25H2;5,8-15,19H,3-4,6-7,16-18,20H2,1-2H3;4,7-12,17-18H,2-3,5-6,13-16H2,1H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide?
5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 2000.62 g/mol, XLogP of 21.02, 36 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-phenylmethoxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 162248254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).