(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

C17H15F2N3O2S — CID 25356249

IUPAC(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-11(25-17-20-10-13-4-2-3-9-22(13)17)15(23)21-12-5-7-14(8-6-12)24-16(18)19/h2-11,16H,1H3,(H,21,23)/t11-/m0/s1
InChIKeyQRWSWYXBPKYOCM-NSHDSACASA-N
MW363.39 g/mol
LogP4.05
Rot. Bonds6

About (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (PubChem CID 25356249) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
PubChem CID25356249
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-11(25-17-20-10-13-4-2-3-9-22(13)17)15(23)21-12-5-7-14(8-6-12)24-16(18)19/h2-11,16H,1H3,(H,21,23)/t11-/m0/s1
InChIKeyQRWSWYXBPKYOCM-NSHDSACASA-N
XLogP4.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 27507079
(2R)-N-(2-chlorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 40792477
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 16503913
N-[4-(difluoromethoxy)phenyl]-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55320467
(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 39816503
N-[4-(difluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 46815744
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 46621445
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 112782159
N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
CID 42988681

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (CID 25356249) is (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The InChIKey is QRWSWYXBPKYOCM-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-11(25-17-20-10-13-4-2-3-9-22(13)17)15(23)21-12-5-7-14(8-6-12)24-16(18)19/h2-11,16H,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide has a molecular weight of 363.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is sourced from PubChem (CID 25356249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).