[1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

C51H83N14O3+3 — CID 87850335

About [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

[1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 87850335) has the molecular formula C51H83N14O3+3 and a molecular weight of 940.32 g/mol. Its IUPAC name is [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

• Compound Name: [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
• PubChem CID: 87850335
• Molecular Formula: C51H83N14O3+3
• Molecular Weight: 940.32 g/mol
• Exact Mass: 939.68
• IUPAC Name: [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
• SMILES: Cc1ccc2c(N)c(N3CCC([N+](C)(C)CCO)C3)nn2c1C.Cc1ccc2c(N)c(OCCN3CCC([N+](C)(C)C)C3)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCCC3)nn2c1C
• InChI: InChI=1S/C18H30N5O.C17H28N5O.C16H25N4O/c1-13-6-7-16-17(19)18(20-22(16)14(13)2)24-11-10-21-9-8-15(12-21)23(3,4)5;1-12-5-6-15-16(18)17(19-21(15)13(12)2)20-8-7-14(11-20)22(3,4)9-10-23;1-12-6-7-14-15(17)16(18-19(14)13(12)2)21-11-10-20(3)8-4-5-9-20/h6-7,15H,8-12,19H2,1-5H3;5-6,14,23H,7-11,18H2,1-4H3;6-7H,4-5,8-11,17H2,1-3H3/q3*+1
• InChIKey: RICUNTPZESKBBT-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 175.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.32
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?

The IUPAC name of [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (CID 87850335) is [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.

What is the SMILES notation for [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?

The canonical SMILES for [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is Cc1ccc2c(N)c(N3CCC([N+](C)(C)CCO)C3)nn2c1C.Cc1ccc2c(N)c(OCCN3CCC([N+](C)(C)C)C3)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCCC3)nn2c1C.

What is the InChIKey of [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?

The InChIKey is RICUNTPZESKBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N5O.C17H28N5O.C16H25N4O/c1-13-6-7-16-17(19)18(20-22(16)14(13)2)24-11-10-21-9-8-15(12-21)23(3,4)5;1-12-5-6-15-16(18)17(19-21(15)13(12)2)20-8-7-14(11-20)22(3,4)9-10-23;1-12-6-7-14-15(17)16(18-19(14)13(12)2)21-11-10-20(3)8-4-5-9-20/h6-7,15H,8-12,19H2,1-5H3;5-6,14,23H,7-11,18H2,1-4H3;6-7H,4-5,8-11,17H2,1-3H3/q3*+1.

What are the key properties of [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?

[1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 940.32 g/mol, XLogP of 5.03, 13 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 87850335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).