5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

About 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171719745) has the molecular formula C43H48ClN9O5 and a molecular weight of 806.37 g/mol. Its IUPAC name is 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name	5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID	171719745
Molecular Formula	C43H48ClN9O5
Molecular Weight	806.37 g/mol
Exact Mass	805.35
IUPAC Name	5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES	[C-]#[N+]c1ccc(N2CC3(CCN(c4ccc(OC5CCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)nn4)CC3)C[C@@H]2C)cc1Cl
InChI	InChI=1S/C43H48ClN9O5/c1-27-25-43(26-52(27)30-4-6-35(45-2)34(44)24-30)15-21-51(22-16-43)37-8-10-39(48-47-37)58-31-13-19-49(20-14-31)28-11-17-50(18-12-28)29-3-5-32-33(23-29)42(57)53(41(32)56)36-7-9-38(54)46-40(36)55/h3-6,8,10,23-24,27-28,31,36H,7,9,11-22,25-26H2,1H3,(H,46,54,55)/t27-,36?/m0/s1
InChIKey	LYXXHLJRQSMXMS-XLYAUNJQSA-N
XLogP	5.48
TPSA	135.88 Å²
H-Bond Donors	1
H-Bond Acceptors	11
Rotatable Bonds	7
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	806.37
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171719745) is 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [C-]#[N+]c1ccc(N2CC3(CCN(c4ccc(OC5CCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)nn4)CC3)C[C@@H]2C)cc1Cl.

What is the InChIKey of 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is LYXXHLJRQSMXMS-XLYAUNJQSA-N. The full InChI is InChI=1S/C43H48ClN9O5/c1-27-25-43(26-52(27)30-4-6-35(45-2)34(44)24-30)15-21-51(22-16-43)37-8-10-39(48-47-37)58-31-13-19-49(20-14-31)28-11-17-50(18-12-28)29-3-5-32-33(23-29)42(57)53(41(32)56)36-7-9-38(54)46-40(36)55/h3-6,8,10,23-24,27-28,31,36H,7,9,11-22,25-26H2,1H3,(H,46,54,55)/t27-,36?/m0/s1.

What are the key properties of 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 806.37 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[6-[(3S)-2-(3-chloro-4-isocyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]pyridazin-3-yl]oxypiperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171719745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).