1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione

C24H28ClN3O4S — CID 3729625

IUPAC1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione
SMILESCOc1cc(C(=O)N2CCC3(CCN(C(=O)CCCC(=O)c4cccs4)C3)CC2)cc(Cl)n1
InChIInChI=1S/C24H28ClN3O4S/c1-32-21-15-17(14-20(25)26-21)23(31)27-10-7-24(8-11-27)9-12-28(16-24)22(30)6-2-4-18(29)19-5-3-13-33-19/h3,5,13-15H,2,4,6-12,16H2,1H3
InChIKeyXTHCLEXVFWBULG-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.31
Rot. Bonds7

About 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione

1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione (PubChem CID 3729625) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione
PubChem CID3729625
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione
SMILESCOc1cc(C(=O)N2CCC3(CCN(C(=O)CCCC(=O)c4cccs4)C3)CC2)cc(Cl)n1
InChIInChI=1S/C24H28ClN3O4S/c1-32-21-15-17(14-20(25)26-21)23(31)27-10-7-24(8-11-27)9-12-28(16-24)22(30)6-2-4-18(29)19-5-3-13-33-19/h3,5,13-15H,2,4,6-12,16H2,1H3
InChIKeyXTHCLEXVFWBULG-UHFFFAOYSA-N
XLogP4.31
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 4995127
1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 3815535
1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-phenylethenylsulfonyl)ethanone
CID 3845789
1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 3447082
N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5015571
[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-(5-methylsulfonylthiophen-2-yl)methanone
CID 3675780
ethyl 6-[[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]hexanoate
CID 3843754
2-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione
CID 3867564
1-[2-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 4984414
5-[2-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 3503603
S-[(2S)-3-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 74228153
[2-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-chloro-6-methoxy-4-pyridinyl)methanone
CID 3717167

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione?
The IUPAC name of 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione (CID 3729625) is 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione.
What is the SMILES notation for 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione?
The canonical SMILES for 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione is COc1cc(C(=O)N2CCC3(CCN(C(=O)CCCC(=O)c4cccs4)C3)CC2)cc(Cl)n1.
What is the InChIKey of 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione?
The InChIKey is XTHCLEXVFWBULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-32-21-15-17(14-20(25)26-21)23(31)27-10-7-24(8-11-27)9-12-28(16-24)22(30)6-2-4-18(29)19-5-3-13-33-19/h3,5,13-15H,2,4,6-12,16H2,1H3.
What are the key properties of 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione?
1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione has a molecular weight of 490.03 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione is sourced from PubChem (CID 3729625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).