3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide

C24H24N4O4 — CID 23589723

IUPAC3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H24N4O4/c1-31-23-16(24(30)25-11-5-13-28-12-4-8-20(28)29)9-10-17-21(23)22(27-26-17)19-14-15-6-2-3-7-18(15)32-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyUAKIBFCPNFTSGO-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds7

About 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide (PubChem CID 23589723) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
PubChem CID23589723
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H24N4O4/c1-31-23-16(24(30)25-11-5-13-28-12-4-8-20(28)29)9-10-17-21(23)22(27-26-17)19-14-15-6-2-3-7-18(15)32-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyUAKIBFCPNFTSGO-UHFFFAOYSA-N
XLogP3.73
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide (CID 23589723) is 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide?
The InChIKey is UAKIBFCPNFTSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-23-16(24(30)25-11-5-13-28-12-4-8-20(28)29)9-10-17-21(23)22(27-26-17)19-14-15-6-2-3-7-18(15)32-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).