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

C115H120N28O22 — CID 158566101

IUPAC2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2
InChIInChI=1S/C24H25N5O5.C23H24N6O5.C23H26N6O4.C23H23N5O4.C22H22N6O4/c1-32-20-11-15-14-29(24(31)16(15)12-21(20)33-2)22-4-3-19(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-32-18-9-14-13-29(22(31)15(14)10-19(18)33-2)23-26-12-20(34-23)21(30)27-16-11-25-4-3-17(16)28-7-5-24-6-8-28;1-31-20-9-15-12-29(13-16(15)10-21(20)32-2)23-27-18(14-33-23)22(30)26-17-11-25-4-3-19(17)28-7-5-24-6-8-28;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;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-4,9-12,24H,5-8,13H2,1-2H3,(H,27,30);3-4,9-11,14,24H,5-8,12-13H2,1-2H3,(H,26,30);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29)
InChIKeyHRMMGCFNOJLREP-UHFFFAOYSA-N
MW2246.40 g/mol
LogP11.10
Rot. Bonds28

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

2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 158566101) has the molecular formula C115H120N28O22 and a molecular weight of 2246.40 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID158566101
Molecular FormulaC115H120N28O22
Molecular Weight2246.40 g/mol
Exact Mass2244.91
IUPAC Name2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2
InChIInChI=1S/C24H25N5O5.C23H24N6O5.C23H26N6O4.C23H23N5O4.C22H22N6O4/c1-32-20-11-15-14-29(24(31)16(15)12-21(20)33-2)22-4-3-19(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-32-18-9-14-13-29(22(31)15(14)10-19(18)33-2)23-26-12-20(34-23)21(30)27-16-11-25-4-3-17(16)28-7-5-24-6-8-28;1-31-20-9-15-12-29(13-16(15)10-21(20)32-2)23-27-18(14-33-23)22(30)26-17-11-25-4-3-19(17)28-7-5-24-6-8-28;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;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-4,9-12,24H,5-8,13H2,1-2H3,(H,27,30);3-4,9-11,14,24H,5-8,12-13H2,1-2H3,(H,26,30);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29)
InChIKeyHRMMGCFNOJLREP-UHFFFAOYSA-N
XLogP11.10
TPSA548.99 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002246.40
LogP ≤ 511.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide (CID 158566101) is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)co1)C2.
What is the InChIKey of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HRMMGCFNOJLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5.C23H24N6O5.C23H26N6O4.C23H23N5O4.C22H22N6O4/c1-32-20-11-15-14-29(24(31)16(15)12-21(20)33-2)22-4-3-19(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-32-18-9-14-13-29(22(31)15(14)10-19(18)33-2)23-26-12-20(34-23)21(30)27-16-11-25-4-3-17(16)28-7-5-24-6-8-28;1-31-20-9-15-12-29(13-16(15)10-21(20)32-2)23-27-18(14-33-23)22(30)26-17-11-25-4-3-19(17)28-7-5-24-6-8-28;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;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);3-4,9-12,24H,5-8,13H2,1-2H3,(H,27,30);3-4,9-11,14,24H,5-8,12-13H2,1-2H3,(H,26,30);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29).
What are the key properties of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 2246.40 g/mol, XLogP of 11.10, 28 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide;5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 158566101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).