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

C117H123N25O15S5 — CID 157387159

IUPAC5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2=O
InChIInChI=1S/C24H25N5O4S.C24H27N5O3S.2C23H23N5O3S.C23H25N5O2S/c1-32-19-11-15-14-29(24(31)16(15)12-20(19)33-2)22-4-3-21(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-31-20-11-16-14-29(15-17(16)12-21(20)32-2)23-4-3-22(33-23)24(30)27-18-13-26-6-5-19(18)28-9-7-25-8-10-28;1-31-16-2-3-17-15(12-16)14-28(23(17)30)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-31-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-30-18-3-2-16-14-28(15-17(16)12-18)22-5-4-21(31-22)23(29)26-19-13-25-7-6-20(19)27-10-8-24-9-11-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,27,30);2*2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-7,12-13,24H,8-11,14-15H2,1H3,(H,26,29)
InChIKeyBLONUFGVKYHSKT-UHFFFAOYSA-N
MW2279.77 g/mol
LogP15.61
Rot. Bonds27

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

5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 157387159) has the molecular formula C117H123N25O15S5 and a molecular weight of 2279.77 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID157387159
Molecular FormulaC117H123N25O15S5
Molecular Weight2279.77 g/mol
Exact Mass2277.82
IUPAC Name5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2=O
InChIInChI=1S/C24H25N5O4S.C24H27N5O3S.2C23H23N5O3S.C23H25N5O2S/c1-32-19-11-15-14-29(24(31)16(15)12-20(19)33-2)22-4-3-21(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-31-20-11-16-14-29(15-17(16)12-21(20)32-2)23-4-3-22(33-23)24(30)27-18-13-26-6-5-19(18)28-9-7-25-8-10-28;1-31-16-2-3-17-15(12-16)14-28(23(17)30)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-31-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-30-18-3-2-16-14-28(15-17(16)12-18)22-5-4-21(31-22)23(29)26-19-13-25-7-6-20(19)27-10-8-24-9-11-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,27,30);2*2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-7,12-13,24H,8-11,14-15H2,1H3,(H,26,29)
InChIKeyBLONUFGVKYHSKT-UHFFFAOYSA-N
XLogP15.61
TPSA418.32 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.77
LogP ≤ 515.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

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

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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)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide (CID 157387159) is 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2=O.
What is the InChIKey of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is BLONUFGVKYHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S.C24H27N5O3S.2C23H23N5O3S.C23H25N5O2S/c1-32-19-11-15-14-29(24(31)16(15)12-20(19)33-2)22-4-3-21(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-31-20-11-16-14-29(15-17(16)12-21(20)32-2)23-4-3-22(33-23)24(30)27-18-13-26-6-5-19(18)28-9-7-25-8-10-28;1-31-16-2-3-17-15(12-16)14-28(23(17)30)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-31-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-30-18-3-2-16-14-28(15-17(16)12-18)22-5-4-21(31-22)23(29)26-19-13-25-7-6-20(19)27-10-8-24-9-11-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,27,30);2*2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-7,12-13,24H,8-11,14-15H2,1H3,(H,26,29).
What are the key properties of 5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
5-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 2279.77 g/mol, XLogP of 15.61, 27 rotatable bonds, 10 hydrogen bond donors, and 37 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)thiophene-2-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 157387159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).