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

C28H24Cl2N4O — CID 175830003

IUPAC5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
SMILESClc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ncccc4c3)CC2)C1
InChIInChI=1S/C28H24Cl2N4O/c29-21-15-31-16-22(30)25(21)26-24(27(35-33-26)17-3-4-17)19-13-28(14-19)7-10-34(11-8-28)20-5-6-23-18(12-20)2-1-9-32-23/h1-2,5-6,9,12-13,15-17H,3-4,7-8,10-11,14H2
InChIKeyWDEXFHWKQDJYEB-UHFFFAOYSA-N
MW503.43 g/mol
LogP7.54
Rot. Bonds4

About 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

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 (PubChem CID 175830003) has the molecular formula C28H24Cl2N4O and a molecular weight of 503.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
PubChem CID175830003
Molecular FormulaC28H24Cl2N4O
Molecular Weight503.43 g/mol
Exact Mass502.13
IUPAC Name5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
SMILESClc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ncccc4c3)CC2)C1
InChIInChI=1S/C28H24Cl2N4O/c29-21-15-31-16-22(30)25(21)26-24(27(35-33-26)17-3-4-17)19-13-28(14-19)7-10-34(11-8-28)20-5-6-23-18(12-20)2-1-9-32-23/h1-2,5-6,9,12-13,15-17H,3-4,7-8,10-11,14H2
InChIKeyWDEXFHWKQDJYEB-UHFFFAOYSA-N
XLogP7.54
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Bms-986318
CID 138592025
6-[2-[5-Cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]quinoline-2-carboxylic acid
CID 138592171
6-[2-[3-(3,5-Dichloropyridin-4-yl)-5-propan-2-yl-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
CID 138591443
6-[2-[5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-N-methylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 138591611
6-[2-[3-(3,5-Dichloropyridin-4-yl)-5-(1-methylcyclopropyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
CID 138591695
Ethyl 6-[2-[5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylate
CID 138591955
6-[2-[5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 138591971
6-[2-[3-(3-Chloropyridin-2-yl)-5-cyclopropyl-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
CID 138591982
5-Cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[[7-[2-methyl-4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole
CID 142581750
3-(2-Chloro-6-methylphenyl)-5-cyclopropyl-4-[[7-[2-methyl-4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole
CID 142581771
3-(3-Chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole
CID 142581798
Ethyl 6-[2-[[3-(3-chloro-5-ethenylpyridin-4-yl)-5-cyclopropyl-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylate
CID 142581817

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1cncc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4ncccc4c3)CC2)C1.
What is the InChIKey of 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?
The InChIKey is WDEXFHWKQDJYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O/c29-21-15-31-16-22(30)25(21)26-24(27(35-33-26)17-3-4-17)19-13-28(14-19)7-10-34(11-8-28)20-5-6-23-18(12-20)2-1-9-32-23/h1-2,5-6,9,12-13,15-17H,3-4,7-8,10-11,14H2.
What are the key properties of 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?
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 has a molecular weight of 503.43 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175830003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).