N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C15H21N3O5S — CID 100663189

IUPACN-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC[C@H](CO)N(C[C@@H](C)O)C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C15H21N3O5S/c1-10(9-19)18(8-11(2)20)14(21)13-12-6-4-5-7-17(12)15(16-13)24(3,22)23/h4-7,10-11,19-20H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyWGOACHUCFGKGMJ-GHMZBOCLSA-N
MW355.42 g/mol
LogP-0.06
Rot. Bonds6

About N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 100663189) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID100663189
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESC[C@H](CO)N(C[C@@H](C)O)C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C15H21N3O5S/c1-10(9-19)18(8-11(2)20)14(21)13-12-6-4-5-7-17(12)15(16-13)24(3,22)23/h4-7,10-11,19-20H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyWGOACHUCFGKGMJ-GHMZBOCLSA-N
XLogP-0.06
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798
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-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47781283
N-(3-aminopropyl)-N-benzyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 120649325
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 95786987
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
CID 47839617

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 100663189) is N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is C[C@H](CO)N(C[C@@H](C)O)C(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is WGOACHUCFGKGMJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-10(9-19)18(8-11(2)20)14(21)13-12-6-4-5-7-17(12)15(16-13)24(3,22)23/h4-7,10-11,19-20H,8-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 355.42 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R)-2-hydroxypropyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 100663189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).