6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid

C27H25Cl2N3O3 — CID 138592211

IUPAC6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC3(C=C(c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)CC2)ncc1C(=O)O
InChIInChI=1S/C27H25Cl2N3O3/c1-15-11-21(30-14-18(15)26(33)34)32-9-7-27(8-10-32)12-17(13-27)22-24(31-35-25(22)16-5-6-16)23-19(28)3-2-4-20(23)29/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,33,34)
InChIKeyUVMLOYUOUYENNN-UHFFFAOYSA-N
MW510.42 g/mol
LogP7.00
Rot. Bonds5

About 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid

6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid (PubChem CID 138592211) has the molecular formula C27H25Cl2N3O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
PubChem CID138592211
Molecular FormulaC27H25Cl2N3O3
Molecular Weight510.42 g/mol
Exact Mass509.13
IUPAC Name6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC3(C=C(c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)CC2)ncc1C(=O)O
InChIInChI=1S/C27H25Cl2N3O3/c1-15-11-21(30-14-18(15)26(33)34)32-9-7-27(8-10-32)12-17(13-27)22-24(31-35-25(22)16-5-6-16)23-19(28)3-2-4-20(23)29/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,33,34)
InChIKeyUVMLOYUOUYENNN-UHFFFAOYSA-N
XLogP7.00
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830029
2-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
CID 138592275
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830041
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 138591792
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582553
4-[7-(6-bromoquinoxalin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole
CID 167172445
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[7-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582527
5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582373
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid (CID 138592211) is 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid is Cc1cc(N2CCC3(C=C(c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)CC2)ncc1C(=O)O.
What is the InChIKey of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is UVMLOYUOUYENNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3/c1-15-11-21(30-14-18(15)26(33)34)32-9-7-27(8-10-32)12-17(13-27)22-24(31-35-25(22)16-5-6-16)23-19(28)3-2-4-20(23)29/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,33,34).
What are the key properties of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid?
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 510.42 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 138592211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).