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

C24H25N5O5 — CID 50995161

IUPAC5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2
InChIInChI=1S/C24H25N5O5/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/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30)
InChIKeyPNYMMZGHAILJAZ-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.51
Rot. Bonds6

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

5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 50995161) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID50995161
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2
InChIInChI=1S/C24H25N5O5/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/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30)
InChIKeyPNYMMZGHAILJAZ-UHFFFAOYSA-N
XLogP2.51
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 50995161) is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.
What is the InChIKey of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is PNYMMZGHAILJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/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/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30).
What are the key properties of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 50995161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).