N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride

C12H17ClN4O3S — CID 119407322

IUPACN-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1nc(C(=O)NCCCN)c2ccccn12.Cl
InChIInChI=1S/C12H16N4O3S.ClH/c1-20(18,19)12-15-10(11(17)14-7-4-6-13)9-5-2-3-8-16(9)12;/h2-3,5,8H,4,6-7,13H2,1H3,(H,14,17);1H
InChIKeyCUDJLPRSXSCGAH-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.24
Rot. Bonds5

About N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride

N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride (PubChem CID 119407322) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
PubChem CID119407322
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC NameN-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1nc(C(=O)NCCCN)c2ccccn12.Cl
InChIInChI=1S/C12H16N4O3S.ClH/c1-20(18,19)12-15-10(11(17)14-7-4-6-13)9-5-2-3-8-16(9)12;/h2-3,5,8H,4,6-7,13H2,1H3,(H,14,17);1H
InChIKeyCUDJLPRSXSCGAH-UHFFFAOYSA-N
XLogP0.24
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
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
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427
N-(1-aminohexan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119667168
N-(3-aminopropyl)-N-benzyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 120649325
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119477193
N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47783322
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 51094701

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride (CID 119407322) is N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride is CS(=O)(=O)c1nc(C(=O)NCCCN)c2ccccn12.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The InChIKey is CUDJLPRSXSCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S.ClH/c1-20(18,19)12-15-10(11(17)14-7-4-6-13)9-5-2-3-8-16(9)12;/h2-3,5,8H,4,6-7,13H2,1H3,(H,14,17);1H.
What are the key properties of N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride has a molecular weight of 332.81 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119407322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).