5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide

C112H125N25O9S4 — CID 159213904

IUPAC5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.CCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1cccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)c1.O=S(=O)(C1CC1)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C31H33N7O3S.C30H32N6O2S.C26H30N6O2S.C25H30N6O2S/c1-23(39)33-27-13-15-28(16-14-27)42(40,41)37-22-26(21-32-37)29-7-4-8-31-34-30(35-38(29)31)20-25-11-9-24(10-12-25)6-5-19-36-17-2-3-18-36;1-23-7-4-9-27(19-23)39(37,38)35-22-26(21-31-35)28-10-5-11-30-32-29(33-36(28)30)20-25-14-12-24(13-15-25)8-6-18-34-16-2-3-17-34;33-35(34,23-12-13-23)31-19-22(18-27-31)24-6-3-7-26-28-25(29-32(24)26)17-21-10-8-20(9-11-21)5-4-16-30-14-1-2-15-30;1-2-34(32,33)30-19-22(18-26-30)23-8-5-9-25-27-24(28-31(23)25)17-21-12-10-20(11-13-21)7-6-16-29-14-3-4-15-29/h4,7-16,21-22H,2-3,5-6,17-20H2,1H3,(H,33,39);4-5,7,9-15,19,21-22H,2-3,6,8,16-18,20H2,1H3;3,6-11,18-19,23H,1-2,4-5,12-17H2;5,8-13,18-19H,2-4,6-7,14-17H2,1H3
InChIKeyKQVHGGAESCQDCI-UHFFFAOYSA-N
MW2093.67 g/mol
LogP16.13
Rot. Bonds37

About 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide

5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide (PubChem CID 159213904) has the molecular formula C112H125N25O9S4 and a molecular weight of 2093.67 g/mol. Its IUPAC name is 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide
PubChem CID159213904
Molecular FormulaC112H125N25O9S4
Molecular Weight2093.67 g/mol
Exact Mass2091.90
IUPAC Name5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.CCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1cccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)c1.O=S(=O)(C1CC1)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C31H33N7O3S.C30H32N6O2S.C26H30N6O2S.C25H30N6O2S/c1-23(39)33-27-13-15-28(16-14-27)42(40,41)37-22-26(21-32-37)29-7-4-8-31-34-30(35-38(29)31)20-25-11-9-24(10-12-25)6-5-19-36-17-2-3-18-36;1-23-7-4-9-27(19-23)39(37,38)35-22-26(21-31-35)28-10-5-11-30-32-29(33-36(28)30)20-25-14-12-24(13-15-25)8-6-18-34-16-2-3-17-34;33-35(34,23-12-13-23)31-19-22(18-27-31)24-6-3-7-26-28-25(29-32(24)26)17-21-10-8-20(9-11-21)5-4-16-30-14-1-2-15-30;1-2-34(32,33)30-19-22(18-26-30)23-8-5-9-25-27-24(28-31(23)25)17-21-12-10-20(11-13-21)7-6-16-29-14-3-4-15-29/h4,7-16,21-22H,2-3,5-6,17-20H2,1H3,(H,33,39);4-5,7,9-15,19,21-22H,2-3,6,8,16-18,20H2,1H3;3,6-11,18-19,23H,1-2,4-5,12-17H2;5,8-13,18-19H,2-4,6-7,14-17H2,1H3
InChIKeyKQVHGGAESCQDCI-UHFFFAOYSA-N
XLogP16.13
TPSA370.66 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.67
LogP ≤ 516.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide with MolForge

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Related Compounds

5-[1-(3-Chlorophenyl)sulfonylpyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(2-methylpropylsulfonyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 161548176
1-(Benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 157740060
5-[1-(2-Chlorophenyl)sulfonylpyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-cyclohexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-hexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-propylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110478
4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonic acid;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzenesulfonamide;4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid
CID 158144966
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
CID 158332870
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclohexylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 158462392
3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158644406
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide
CID 158887822
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
CID 159067572
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;2-[[4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]sulfonylamino]ethanesulfonic acid
CID 159427956
1-(Benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone
CID 159602631
2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide
CID 159750542

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide (CID 159213904) is 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.CCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.Cc1cccc(S(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)c1.O=S(=O)(C1CC1)n1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.
What is the InChIKey of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is KQVHGGAESCQDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O3S.C30H32N6O2S.C26H30N6O2S.C25H30N6O2S/c1-23(39)33-27-13-15-28(16-14-27)42(40,41)37-22-26(21-32-37)29-7-4-8-31-34-30(35-38(29)31)20-25-11-9-24(10-12-25)6-5-19-36-17-2-3-18-36;1-23-7-4-9-27(19-23)39(37,38)35-22-26(21-31-35)28-10-5-11-30-32-29(33-36(28)30)20-25-14-12-24(13-15-25)8-6-18-34-16-2-3-17-34;33-35(34,23-12-13-23)31-19-22(18-27-31)24-6-3-7-26-28-25(29-32(24)26)17-21-10-8-20(9-11-21)5-4-16-30-14-1-2-15-30;1-2-34(32,33)30-19-22(18-26-30)23-8-5-9-25-27-24(28-31(23)25)17-21-12-10-20(11-13-21)7-6-16-29-14-3-4-15-29/h4,7-16,21-22H,2-3,5-6,17-20H2,1H3,(H,33,39);4-5,7,9-15,19,21-22H,2-3,6,8,16-18,20H2,1H3;3,6-11,18-19,23H,1-2,4-5,12-17H2;5,8-13,18-19H,2-4,6-7,14-17H2,1H3.
What are the key properties of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide?
5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 2093.67 g/mol, XLogP of 16.13, 37 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-ethylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]-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]pyrazol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 159213904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).