(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

C15H20N4O2S — CID 27507138

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncc2ccccn12)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H20N4O2S/c1-10(12(20)17-13(21)18-15(2,3)4)22-14-16-9-11-7-5-6-8-19(11)14/h5-10H,1-4H3,(H2,17,18,20,21)/t10-/m1/s1
InChIKeyRWFVOHFDHVHZQQ-SNVBAGLBSA-N
MW320.42 g/mol
LogP2.44
Rot. Bonds3

About (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (PubChem CID 27507138) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
PubChem CID27507138
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncc2ccccn12)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H20N4O2S/c1-10(12(20)17-13(21)18-15(2,3)4)22-14-16-9-11-7-5-6-8-19(11)14/h5-10H,1-4H3,(H2,17,18,20,21)/t10-/m1/s1
InChIKeyRWFVOHFDHVHZQQ-SNVBAGLBSA-N
XLogP2.44
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 46529920
(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)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 27507079
(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 39816503
(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 25356249
N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280153
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8888277
N-(tert-butylcarbamoyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 18091322
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one
CID 42988656
N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
CID 42988681
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (CID 27507138) is (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is C[C@@H](Sc1ncc2ccccn12)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The InChIKey is RWFVOHFDHVHZQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10(12(20)17-13(21)18-15(2,3)4)22-14-16-9-11-7-5-6-8-19(11)14/h5-10H,1-4H3,(H2,17,18,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide has a molecular weight of 320.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is sourced from PubChem (CID 27507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).