5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

C28H25F3N4OS — CID 142582511

IUPAC5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1ccc2nc(N3CCC4(C=C(c5c(-c6ccccc6C(F)(F)F)noc5C5CC5)C4)CC3)sc2n1
InChIInChI=1S/C28H25F3N4OS/c1-16-6-9-21-25(32-16)37-26(33-21)35-12-10-27(11-13-35)14-18(15-27)22-23(34-36-24(22)17-7-8-17)19-4-2-3-5-20(19)28(29,30)31/h2-6,9,14,17H,7-8,10-13,15H2,1H3
InChIKeyVEGSOUPHUMQWNM-UHFFFAOYSA-N
MW522.60 g/mol
LogP7.62
Rot. Bonds4

About 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 142582511) has the molecular formula C28H25F3N4OS and a molecular weight of 522.60 g/mol. Its IUPAC name is 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID142582511
Molecular FormulaC28H25F3N4OS
Molecular Weight522.60 g/mol
Exact Mass522.17
IUPAC Name5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1ccc2nc(N3CCC4(C=C(c5c(-c6ccccc6C(F)(F)F)noc5C5CC5)C4)CC3)sc2n1
InChIInChI=1S/C28H25F3N4OS/c1-16-6-9-21-25(32-16)37-26(33-21)35-12-10-27(11-13-35)14-18(15-27)22-23(34-36-24(22)17-7-8-17)19-4-2-3-5-20(19)28(29,30)31/h2-6,9,14,17H,7-8,10-13,15H2,1H3
InChIKeyVEGSOUPHUMQWNM-UHFFFAOYSA-N
XLogP7.62
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole with MolForge

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Related Compounds

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-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582438
5-cyclopropyl-3-(4-fluoro-2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 167172454
2-[2-[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
CID 138591730
5-cyclopropyl-4-[7-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-7-azaspiro[3.5]nonan-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 142582464
5-cyclopropyl-4-[[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 142581903
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
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-(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
5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 167172480
6-[2-[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-5-fluoropyridine-3-carboxylic acid
CID 138591741
6-[2-[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]pyridazine-3-carboxylic acid
CID 138591615

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (CID 142582511) is 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is Cc1ccc2nc(N3CCC4(C=C(c5c(-c6ccccc6C(F)(F)F)noc5C5CC5)C4)CC3)sc2n1.
What is the InChIKey of 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is VEGSOUPHUMQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4OS/c1-16-6-9-21-25(32-16)37-26(33-21)35-12-10-27(11-13-35)14-18(15-27)22-23(34-36-24(22)17-7-8-17)19-4-2-3-5-20(19)28(29,30)31/h2-6,9,14,17H,7-8,10-13,15H2,1H3.
What are the key properties of 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 522.60 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[7-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 142582511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).