5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C108H105ClN30O18S2 — CID 158914883

About 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 158914883) has the molecular formula C108H105ClN30O18S2 and a molecular weight of 2210.81 g/mol. Its IUPAC name is 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
• PubChem CID: 158914883
• Molecular Formula: C108H105ClN30O18S2
• Molecular Weight: 2210.81 g/mol
• Exact Mass: 2208.74
• IUPAC Name: 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
• SMILES: COc1cc2c(cn1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2nc3cc(Cl)ccn3c2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2nc3ccccn3c2=O)o1
• InChI: InChI=1S/C23H23N5O5S.C23H23N5O3S.C22H22N6O4.C20H18ClN7O3.C20H19N7O3/c1-34(31,32)16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(33-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-32-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(31-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-31-19-10-15-14(11-25-19)13-28(22(15)30)20-3-2-18(32-20)21(29)26-16-12-24-5-4-17(16)27-8-6-23-7-9-27;21-13-4-8-27-17(11-13)25-28(20(27)30)18-2-1-16(31-18)19(29)24-14-12-23-5-3-15(14)26-9-6-22-7-10-26;28-19(23-14-13-22-7-6-15(14)25-11-8-21-9-12-25)16-4-5-18(30-16)27-20(29)26-10-2-1-3-17(26)24-27/h2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);1-5,8,11-12,22H,6-7,9-10H2,(H,24,29);1-7,10,13,21H,8-9,11-12H2,(H,23,28)
• InChIKey: JHCMOVVYJUUIER-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 547.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.81
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The IUPAC name of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 158914883) is 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

What is the SMILES notation for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The canonical SMILES for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COc1cc2c(cn1)CN(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2nc3cc(Cl)ccn3c2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2nc3ccccn3c2=O)o1.

What is the InChIKey of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The InChIKey is JHCMOVVYJUUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S.C23H23N5O3S.C22H22N6O4.C20H18ClN7O3.C20H19N7O3/c1-34(31,32)16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(33-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-32-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(31-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-31-19-10-15-14(11-25-19)13-28(22(15)30)20-3-2-18(32-20)21(29)26-16-12-24-5-4-17(16)27-8-6-23-7-9-27;21-13-4-8-27-17(11-13)25-28(20(27)30)18-2-1-16(31-18)19(29)24-14-12-23-5-3-15(14)26-9-6-22-7-10-26;28-19(23-14-13-22-7-6-15(14)25-11-8-21-9-12-25)16-4-5-18(30-16)27-20(29)26-10-2-1-3-17(26)24-27/h2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);1-5,8,11-12,22H,6-7,9-10H2,(H,24,29);1-7,10,13,21H,8-9,11-12H2,(H,23,28).

What are the key properties of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 2210.81 g/mol, XLogP of 9.94, 23 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 158914883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).