5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C129H141N25O26 — CID 161311568

IUPAC5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOCCOCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1
InChIInChI=1S/C27H31N5O6.C27H29N5O5.3C25H27N5O5/c1-35-12-13-36-14-15-37-20-3-2-19-18-32(27(34)21(19)16-20)25-5-4-24(38-25)26(33)30-22-17-29-7-6-23(22)31-10-8-28-9-11-31;33-26(30-22-15-29-8-7-23(22)31-11-9-28-10-12-31)24-5-6-25(37-24)32-16-18-3-4-19(14-21(18)27(32)34)36-17-20-2-1-13-35-20;2*1-33-12-13-34-18-2-3-19-17(14-18)16-30(25(19)32)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29;1-33-12-13-34-18-3-2-17-16-30(25(32)19(17)14-18)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29/h2-7,16-17,28H,8-15,18H2,1H3,(H,30,33);3-8,14-15,20,28H,1-2,9-13,16-17H2,(H,30,33);3*2-7,14-15,26H,8-13,16H2,1H3,(H,28,31)
InChIKeyVIYNEBACZRYLGF-UHFFFAOYSA-N
MW2457.70 g/mol
LogP13.16
Rot. Bonds42

About 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 161311568) has the molecular formula C129H141N25O26 and a molecular weight of 2457.70 g/mol. Its IUPAC name is 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID161311568
Molecular FormulaC129H141N25O26
Molecular Weight2457.70 g/mol
Exact Mass2456.05
IUPAC Name5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOCCOCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1
InChIInChI=1S/C27H31N5O6.C27H29N5O5.3C25H27N5O5/c1-35-12-13-36-14-15-37-20-3-2-19-18-32(27(34)21(19)16-20)25-5-4-24(38-25)26(33)30-22-17-29-7-6-23(22)31-10-8-28-9-11-31;33-26(30-22-15-29-8-7-23(22)31-11-9-28-10-12-31)24-5-6-25(37-24)32-16-18-3-4-19(14-21(18)27(32)34)36-17-20-2-1-13-35-20;2*1-33-12-13-34-18-2-3-19-17(14-18)16-30(25(19)32)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29;1-33-12-13-34-18-3-2-17-16-30(25(32)19(17)14-18)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29/h2-7,16-17,28H,8-15,18H2,1H3,(H,30,33);3-8,14-15,20,28H,1-2,9-13,16-17H2,(H,30,33);3*2-7,14-15,26H,8-13,16H2,1H3,(H,28,31)
InChIKeyVIYNEBACZRYLGF-UHFFFAOYSA-N
XLogP13.16
TPSA555.08 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002457.70
LogP ≤ 513.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;methane;5-methyl-7-[6-(3-piperazin-1-ylpropyl)-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 157223228
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167558654
5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 50995161
5-(6-methoxy-1-oxoisoindolin-2-yl)-N-(4-(piperazin-1-yl)pyridin-3-yl)furan-2-carboxamide
CID 67051505
5-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167726
5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167731
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)furan-2-carboxamide
CID 68167738
5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167743
5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167750
5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167755
5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167756
5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 68167760

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 161311568) is 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COCCOCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COCCOc1ccc2c(c1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1.
What is the InChIKey of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is VIYNEBACZRYLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O6.C27H29N5O5.3C25H27N5O5/c1-35-12-13-36-14-15-37-20-3-2-19-18-32(27(34)21(19)16-20)25-5-4-24(38-25)26(33)30-22-17-29-7-6-23(22)31-10-8-28-9-11-31;33-26(30-22-15-29-8-7-23(22)31-11-9-28-10-12-31)24-5-6-25(37-24)32-16-18-3-4-19(14-21(18)27(32)34)36-17-20-2-1-13-35-20;2*1-33-12-13-34-18-2-3-19-17(14-18)16-30(25(19)32)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29;1-33-12-13-34-18-3-2-17-16-30(25(32)19(17)14-18)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29/h2-7,16-17,28H,8-15,18H2,1H3,(H,30,33);3-8,14-15,20,28H,1-2,9-13,16-17H2,(H,30,33);3*2-7,14-15,26H,8-13,16H2,1H3,(H,28,31).
What are the key properties of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 2457.70 g/mol, XLogP of 13.16, 42 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;bis(5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide);5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 161311568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).