1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

C27H26ClN3O4 — CID 24956134

IUPAC1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccc(Cl)cc2)c(OC)n1
InChIInChI=1S/C27H26ClN3O4/c1-34-22-13-12-21(24(29-22)35-2)25(32)30-16-14-27(15-17-30)23(18-8-10-19(28)11-9-18)31(26(27)33)20-6-4-3-5-7-20/h3-13,23H,14-17H2,1-2H3
InChIKeyPHNYNIGFTSPHBJ-UHFFFAOYSA-N
MW491.98 g/mol
LogP4.76
Rot. Bonds5

About 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 24956134) has the molecular formula C27H26ClN3O4 and a molecular weight of 491.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID24956134
Molecular FormulaC27H26ClN3O4
Molecular Weight491.98 g/mol
Exact Mass491.16
IUPAC Name1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccc(Cl)cc2)c(OC)n1
InChIInChI=1S/C27H26ClN3O4/c1-34-22-13-12-21(24(29-22)35-2)25(32)30-16-14-27(15-17-30)23(18-8-10-19(28)11-9-18)31(26(27)33)20-6-4-3-5-7-20/h3-13,23H,14-17H2,1-2H3
InChIKeyPHNYNIGFTSPHBJ-UHFFFAOYSA-N
XLogP4.76
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one 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-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-(4-chlorophenyl)-2-(2-fluorophenyl)-7-(3,4,5-trimethoxybenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 24952749
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
tert-butyl 1-(4-chlorophenyl)-2-(4-methoxycarbonylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 24953807
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952584
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023
(3R,4S)-3-benzyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 164699824
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(2,6-dimethoxy-3-pyridinyl)-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70774986
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (CID 24956134) is 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccc(Cl)cc2)c(OC)n1.
What is the InChIKey of 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is PHNYNIGFTSPHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4/c1-34-22-13-12-21(24(29-22)35-2)25(32)30-16-14-27(15-17-30)23(18-8-10-19(28)11-9-18)31(26(27)33)20-6-4-3-5-7-20/h3-13,23H,14-17H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 491.98 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 24956134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).