3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500704) has the molecular formula C35H37N5O6 and a molecular weight of 623.71 g/mol. Its IUPAC name is 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	156500704
Molecular Formula	C35H37N5O6
Molecular Weight	623.71 g/mol
Exact Mass	623.27
IUPAC Name	3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	COc1cc2n[nH]c(CN3CCCCC3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2cc1OCc1ccccc1
InChI	InChI=1S/C35H37N5O6/c1-44-31-17-28-27(16-32(31)46-20-22-7-3-2-4-8-22)29(38-37-28)19-39-14-6-5-9-24(39)21-45-25-10-11-26-23(15-25)18-40(35(26)43)30-12-13-33(41)36-34(30)42/h2-4,7-8,10-11,15-17,24,30H,5-6,9,12-14,18-21H2,1H3,(H,37,38)(H,36,41,42)
InChIKey	JLUCCCOYVWEYDJ-UHFFFAOYSA-N
XLogP	4.34
TPSA	126.09 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.71
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500704) is 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc2n[nH]c(CN3CCCCC3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2cc1OCc1ccccc1.

What is the InChIKey of 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is JLUCCCOYVWEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O6/c1-44-31-17-28-27(16-32(31)46-20-22-7-3-2-4-8-22)29(38-37-28)19-39-14-6-5-9-24(39)21-45-25-10-11-26-23(15-25)18-40(35(26)43)30-12-13-33(41)36-34(30)42/h2-4,7-8,10-11,15-17,24,30H,5-6,9,12-14,18-21H2,1H3,(H,37,38)(H,36,41,42).

What are the key properties of 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 623.71 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).