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

C26H26N4O3 — CID 135617775

IUPAC4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C26H26N4O3/c1-33-25-20(26(32)27-13-5-15-30-14-4-8-22(30)31)11-12-21-23(25)24(29-28-21)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,27,32)(H,28,29)
InChIKeySHITYNGHKUZFKY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.13
Rot. Bonds7

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

4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (PubChem CID 135617775) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
PubChem CID135617775
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C26H26N4O3/c1-33-25-20(26(32)27-13-5-15-30-14-4-8-22(30)31)11-12-21-23(25)24(29-28-21)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,27,32)(H,28,29)
InChIKeySHITYNGHKUZFKY-UHFFFAOYSA-N
XLogP4.13
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (CID 135617775) is 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The InChIKey is SHITYNGHKUZFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-33-25-20(26(32)27-13-5-15-30-14-4-8-22(30)31)11-12-21-23(25)24(29-28-21)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 135617775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).