[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide

C43H74N14O4S — CID 160844246

About [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide

[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide (PubChem CID 160844246) has the molecular formula C43H74N14O4S and a molecular weight of 883.23 g/mol. Its IUPAC name is [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide.

Molecular Properties

• Compound Name: [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide
• PubChem CID: 160844246
• Molecular Formula: C43H74N14O4S
• Molecular Weight: 883.23 g/mol
• Exact Mass: 882.57
• IUPAC Name: [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide
• SMILES: CN(C)c1cccn2nc(OCCN3CCC([N+](C)(C)C)C3)c(N)c12.COc1nn2cccc([N+](C)(C)C)c2c1N.C[N+](C)(C)c1cccn2nc(S(C)(=O)=O)c(N)c12.[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C18H31N6O.C11H17N4O2S.C11H17N4O.3CH3/c1-21(2)15-7-6-9-23-17(15)16(19)18(20-23)25-12-11-22-10-8-14(13-22)24(3,4)5;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)18(4,16)17;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)16-4;;;/h6-7,9,14H,8,10-13,19H2,1-5H3;5-7H,12H2,1-4H3;5-7H,12H2,1-4H3;3*1H3/q3*+1;3*-1
• InChIKey: SIKXWXKWCQOBTH-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 189.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.23
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide?

The IUPAC name of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide (CID 160844246) is [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide.

What is the SMILES notation for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide?

The canonical SMILES for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide is CN(C)c1cccn2nc(OCCN3CCC([N+](C)(C)C)C3)c(N)c12.COc1nn2cccc([N+](C)(C)C)c2c1N.C[N+](C)(C)c1cccn2nc(S(C)(=O)=O)c(N)c12.[CH3-].[CH3-].[CH3-].

What is the InChIKey of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide?

The InChIKey is SIKXWXKWCQOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N6O.C11H17N4O2S.C11H17N4O.3CH3/c1-21(2)15-7-6-9-23-17(15)16(19)18(20-23)25-12-11-22-10-8-14(13-22)24(3,4)5;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)18(4,16)17;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)16-4;;;/h6-7,9,14H,8,10-13,19H2,1-5H3;5-7H,12H2,1-4H3;5-7H,12H2,1-4H3;3*1H3/q3*+1;3*-1.

What are the key properties of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide?

[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide has a molecular weight of 883.23 g/mol, XLogP of 4.13, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide is sourced from PubChem (CID 160844246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).