5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C119H118Cl2N26O20 — CID 159105142

IUPAC5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cccc2c1C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3c(Cl)cccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(Cl)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1
InChIInChI=1S/C28H32N6O5.C24H23N5O5.C23H23N5O4.2C22H20ClN5O3/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-1-2-21(17-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-33-24(32)15-2-3-16-14-29(23(31)17(16)12-15)21-5-4-20(34-21)22(30)27-18-13-26-7-6-19(18)28-10-8-25-9-11-28;1-31-18-4-2-3-15-14-28(23(30)21(15)18)20-6-5-19(32-20)22(29)26-16-13-25-8-7-17(16)27-11-9-24-10-12-27;23-15-1-2-16-14(11-15)13-28(22(16)30)20-4-3-19(31-20)21(29)26-17-12-25-6-5-18(17)27-9-7-24-8-10-27;23-16-3-1-2-14-15(16)13-28(22(14)30)20-5-4-19(31-20)21(29)26-17-12-25-7-6-18(17)27-10-8-24-9-11-27/h1-6,17-18,29H,7-16,19H2,(H,31,35);2-7,12-13,25H,8-11,14H2,1H3,(H,27,30);2-8,13,24H,9-12,14H2,1H3,(H,26,29);1-6,11-12,24H,7-10,13H2,(H,26,29);1-7,12,24H,8-11,13H2,(H,26,29)
InChIKeyKDUCJYZWKWFJCL-UHFFFAOYSA-N
MW2303.32 g/mol
LogP13.30
Rot. Bonds26

About 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 159105142) has the molecular formula C119H118Cl2N26O20 and a molecular weight of 2303.32 g/mol. Its IUPAC name is 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID159105142
Molecular FormulaC119H118Cl2N26O20
Molecular Weight2303.32 g/mol
Exact Mass2300.84
IUPAC Name5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cccc2c1C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3c(Cl)cccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(Cl)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1
InChIInChI=1S/C28H32N6O5.C24H23N5O5.C23H23N5O4.2C22H20ClN5O3/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-1-2-21(17-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-33-24(32)15-2-3-16-14-29(23(31)17(16)12-15)21-5-4-20(34-21)22(30)27-18-13-26-7-6-19(18)28-10-8-25-9-11-28;1-31-18-4-2-3-15-14-28(23(30)21(15)18)20-6-5-19(32-20)22(29)26-16-13-25-8-7-17(16)27-11-9-24-10-12-27;23-15-1-2-16-14(11-15)13-28(22(16)30)20-4-3-19(31-20)21(29)26-17-12-25-6-5-18(17)27-9-7-24-8-10-27;23-16-3-1-2-14-15(16)13-28(22(14)30)20-5-4-19(31-20)21(29)26-17-12-25-7-6-18(17)27-10-8-24-9-11-27/h1-6,17-18,29H,7-16,19H2,(H,31,35);2-7,12-13,25H,8-11,14H2,1H3,(H,27,30);2-8,13,24H,9-12,14H2,1H3,(H,26,29);1-6,11-12,24H,7-10,13H2,(H,26,29);1-7,12,24H,8-11,13H2,(H,26,29)
InChIKeyKDUCJYZWKWFJCL-UHFFFAOYSA-N
XLogP13.30
TPSA510.78 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.32
LogP ≤ 513.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 159105142) is 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cccc2c1C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3c(Cl)cccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(Cl)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1.
What is the InChIKey of 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is KDUCJYZWKWFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5.C24H23N5O5.C23H23N5O4.2C22H20ClN5O3/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-1-2-21(17-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-33-24(32)15-2-3-16-14-29(23(31)17(16)12-15)21-5-4-20(34-21)22(30)27-18-13-26-7-6-19(18)28-10-8-25-9-11-28;1-31-18-4-2-3-15-14-28(23(30)21(15)18)20-6-5-19(32-20)22(29)26-16-13-25-8-7-17(16)27-11-9-24-10-12-27;23-15-1-2-16-14(11-15)13-28(22(16)30)20-4-3-19(31-20)21(29)26-17-12-25-6-5-18(17)27-9-7-24-8-10-27;23-16-3-1-2-14-15(16)13-28(22(14)30)20-5-4-19(31-20)21(29)26-17-12-25-7-6-18(17)27-10-8-24-9-11-27/h1-6,17-18,29H,7-16,19H2,(H,31,35);2-7,12-13,25H,8-11,14H2,1H3,(H,27,30);2-8,13,24H,9-12,14H2,1H3,(H,26,29);1-6,11-12,24H,7-10,13H2,(H,26,29);1-7,12,24H,8-11,13H2,(H,26,29).
What are the key properties of 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 2303.32 g/mol, XLogP of 13.30, 26 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;methyl 3-oxo-2-[5-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]furan-2-yl]-1H-isoindole-5-carboxylate;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 159105142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).