N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C20H21ClN4O2S — CID 60560701

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1Cl
InChIInChI=1S/C20H21ClN4O2S/c1-4-24(5-2)19(27)14-10-9-13(12-15(14)21)22-18(26)17-16-8-6-7-11-25(16)20(23-17)28-3/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyBNOFZBPFSYHJJK-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.44
Rot. Bonds6

About N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 60560701) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID60560701
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1Cl
InChIInChI=1S/C20H21ClN4O2S/c1-4-24(5-2)19(27)14-10-9-13(12-15(14)21)22-18(26)17-16-8-6-7-11-25(16)20(23-17)28-3/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyBNOFZBPFSYHJJK-UHFFFAOYSA-N
XLogP4.44
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
1-N,1-N-diethyl-3-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070950
1-N-(2-chloro-4,6-dimethylphenyl)-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071010
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39469992
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070942
N-[2-(3-methylphenyl)ethyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60611521
2-chloro-N,N-diethyl-4-[(5-methylsulfanyl-2-nitrobenzoyl)amino]benzamide
CID 55673283
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
3-N,3-N-diethyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070989

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 60560701) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BNOFZBPFSYHJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-4-24(5-2)19(27)14-10-9-13(12-15(14)21)22-18(26)17-16-8-6-7-11-25(16)20(23-17)28-3/h6-12H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 60560701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).