N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C20H29N3O4S — CID 95786987

IUPACN-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCO[C@H]1C[C@H](N(C)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1(C)C
InChIInChI=1S/C20H29N3O4S/c1-6-7-12-27-16-13-15(20(16,2)3)22(4)18(24)17-14-10-8-9-11-23(14)19(21-17)28(5,25)26/h8-11,15-16H,6-7,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyRBDWTGOMZFXBMN-HOTGVXAUSA-N
MW407.54 g/mol
LogP2.79
Rot. Bonds7

About N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 95786987) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID95786987
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCO[C@H]1C[C@H](N(C)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1(C)C
InChIInChI=1S/C20H29N3O4S/c1-6-7-12-27-16-13-15(20(16,2)3)22(4)18(24)17-14-10-8-9-11-23(14)19(21-17)28(5,25)26/h8-11,15-16H,6-7,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyRBDWTGOMZFXBMN-HOTGVXAUSA-N
XLogP2.79
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99810319
N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 100663189
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
N-(1-aminohexan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119667168
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877465
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466
N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877468
2-[3-[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187218
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 95786987) is N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CCCCO[C@H]1C[C@H](N(C)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is RBDWTGOMZFXBMN-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-6-7-12-27-16-13-15(20(16,2)3)22(4)18(24)17-14-10-8-9-11-23(14)19(21-17)28(5,25)26/h8-11,15-16H,6-7,12-13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 95786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).