5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

C128H134N42O24 — CID 157471729

IUPAC5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cccc2c1CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O
InChIInChI=1S/C22H23N7O5.C22H25N7O4.3C21H21N7O4.C21H23N7O3/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28;1-31-18-9-14-12-29(13-15(14)10-19(18)32-2)22-27-26-21(33-22)20(30)25-16-11-24-4-3-17(16)28-7-5-23-6-8-28;1-31-14-2-3-15-13(10-14)12-28(20(15)30)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-17-4-2-3-13-14(17)12-28(20(13)30)21-26-25-19(32-21)18(29)24-15-11-23-6-5-16(15)27-9-7-22-8-10-27;1-30-16-3-2-14-12-28(13-15(14)10-16)21-26-25-20(31-21)19(29)24-17-11-23-5-4-18(17)27-8-6-22-7-9-27/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30);3-4,9-11,23H,5-8,12-13H2,1-2H3,(H,25,30);2*2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-6,11,22H,7-10,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12-13H2,1H3,(H,24,29)
InChIKeyBVCPVZBDRQTARX-UHFFFAOYSA-N
MW2644.75 g/mol
LogP8.51
Rot. Bonds32

About 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 157471729) has the molecular formula C128H134N42O24 and a molecular weight of 2644.75 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID157471729
Molecular FormulaC128H134N42O24
Molecular Weight2644.75 g/mol
Exact Mass2643.06
IUPAC Name5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cccc2c1CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O
InChIInChI=1S/C22H23N7O5.C22H25N7O4.3C21H21N7O4.C21H23N7O3/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28;1-31-18-9-14-12-29(13-15(14)10-19(18)32-2)22-27-26-21(33-22)20(30)25-16-11-24-4-3-17(16)28-7-5-23-6-8-28;1-31-14-2-3-15-13(10-14)12-28(20(15)30)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-17-4-2-3-13-14(17)12-28(20(13)30)21-26-25-19(32-21)18(29)24-15-11-23-6-5-16(15)27-9-7-22-8-10-27;1-30-16-3-2-14-12-28(13-15(14)10-16)21-26-25-20(31-21)19(29)24-17-11-23-5-4-18(17)27-8-6-22-7-9-27/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30);3-4,9-11,23H,5-8,12-13H2,1-2H3,(H,25,30);2*2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-6,11,22H,7-10,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12-13H2,1H3,(H,24,29)
InChIKeyBVCPVZBDRQTARX-UHFFFAOYSA-N
XLogP8.51
TPSA738.64 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds32
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002644.75
LogP ≤ 58.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Analyze 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 50995164
5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68168002
5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68168011
N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 68168013
N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 68168014
N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 68168016
N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 68168018
N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 68168020
2-[5-[1-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]amino]ethyl]-1,3,4-oxadiazol-2-yl]-5,6-dimethoxy-3H-isoindol-1-one
CID 123973814
5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 157193211
N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 157221445
N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide
CID 157441330

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 157471729) is 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cccc2c1CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.
What is the InChIKey of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BVCPVZBDRQTARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O5.C22H25N7O4.3C21H21N7O4.C21H23N7O3/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28;1-31-18-9-14-12-29(13-15(14)10-19(18)32-2)22-27-26-21(33-22)20(30)25-16-11-24-4-3-17(16)28-7-5-23-6-8-28;1-31-14-2-3-15-13(10-14)12-28(20(15)30)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-17-4-2-3-13-14(17)12-28(20(13)30)21-26-25-19(32-21)18(29)24-15-11-23-6-5-16(15)27-9-7-22-8-10-27;1-30-16-3-2-14-12-28(13-15(14)10-16)21-26-25-20(31-21)19(29)24-17-11-23-5-4-18(17)27-8-6-22-7-9-27/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30);3-4,9-11,23H,5-8,12-13H2,1-2H3,(H,25,30);2*2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-6,11,22H,7-10,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12-13H2,1H3,(H,24,29).
What are the key properties of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2644.75 g/mol, XLogP of 8.51, 32 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 157471729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).