3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

C95H157N25O6+6 — CID 158552660

IUPAC3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESCc1ccc2c(N)c(NCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C(C)C)C(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCCCC3)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCOCC3)nn2c1C
InChIInChI=1S/C18H31N4O.C17H27N4O.C16H25N4O2.C15H26N5.C15H25N4O.C14H23N4O/c1-12(2)22(7,13(3)4)10-11-23-18-17(19)16-9-8-14(5)15(6)21(16)20-18;1-13-7-8-15-16(18)17(19-20(15)14(13)2)22-12-11-21(3)9-5-4-6-10-21;1-12-4-5-14-15(17)16(18-19(14)13(12)2)22-11-8-20(3)6-9-21-10-7-20;1-11-7-8-13-14(16)15(18-19(13)12(11)2)17-9-6-10-20(3,4)5;1-11-7-8-13-14(16)15(17-18(13)12(11)2)20-10-6-9-19(3,4)5;1-10-6-7-12-13(15)14(16-17(12)11(10)2)19-9-8-18(3,4)5/h8-9,12-13H,10-11,19H2,1-7H3;7-8H,4-6,9-12,18H2,1-3H3;4-5H,6-11,17H2,1-3H3;7-8H,6,9-10,16H2,1-5H3,(H,17,18);7-8H,6,9-10,16H2,1-5H3;6-7H,8-9,15H2,1-5H3/q6*+1
InChIKeyHPXKHOBOZYETPA-UHFFFAOYSA-N
MW1745.47 g/mol
LogP12.78
Rot. Bonds28

About 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 158552660) has the molecular formula C95H157N25O6+6 and a molecular weight of 1745.47 g/mol. Its IUPAC name is 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
PubChem CID158552660
Molecular FormulaC95H157N25O6+6
Molecular Weight1745.47 g/mol
Exact Mass1744.27
IUPAC Name3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESCc1ccc2c(N)c(NCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C(C)C)C(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCCCC3)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCOCC3)nn2c1C
InChIInChI=1S/C18H31N4O.C17H27N4O.C16H25N4O2.C15H26N5.C15H25N4O.C14H23N4O/c1-12(2)22(7,13(3)4)10-11-23-18-17(19)16-9-8-14(5)15(6)21(16)20-18;1-13-7-8-15-16(18)17(19-20(15)14(13)2)22-12-11-21(3)9-5-4-6-10-21;1-12-4-5-14-15(17)16(18-19(14)13(12)2)22-11-8-20(3)6-9-21-10-7-20;1-11-7-8-13-14(16)15(18-19(13)12(11)2)17-9-6-10-20(3,4)5;1-11-7-8-13-14(16)15(17-18(13)12(11)2)20-10-6-9-19(3,4)5;1-10-6-7-12-13(15)14(16-17(12)11(10)2)19-9-8-18(3,4)5/h8-9,12-13H,10-11,19H2,1-7H3;7-8H,4-6,9-12,18H2,1-3H3;4-5H,6-11,17H2,1-3H3;7-8H,6,9-10,16H2,1-5H3,(H,17,18);7-8H,6,9-10,16H2,1-5H3;6-7H,8-9,15H2,1-5H3/q6*+1
InChIKeyHPXKHOBOZYETPA-UHFFFAOYSA-N
XLogP12.78
TPSA327.33 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms126
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001745.47
LogP ≤ 512.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (CID 158552660) is 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is Cc1ccc2c(N)c(NCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C(C)C)C(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCCCC3)nn2c1C.Cc1ccc2c(N)c(OCC[N+]3(C)CCOCC3)nn2c1C.
What is the InChIKey of 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is HPXKHOBOZYETPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N4O.C17H27N4O.C16H25N4O2.C15H26N5.C15H25N4O.C14H23N4O/c1-12(2)22(7,13(3)4)10-11-23-18-17(19)16-9-8-14(5)15(6)21(16)20-18;1-13-7-8-15-16(18)17(19-20(15)14(13)2)22-12-11-21(3)9-5-4-6-10-21;1-12-4-5-14-15(17)16(18-19(14)13(12)2)22-11-8-20(3)6-9-21-10-7-20;1-11-7-8-13-14(16)15(18-19(13)12(11)2)17-9-6-10-20(3,4)5;1-11-7-8-13-14(16)15(17-18(13)12(11)2)20-10-6-9-19(3,4)5;1-10-6-7-12-13(15)14(16-17(12)11(10)2)19-9-8-18(3,4)5/h8-9,12-13H,10-11,19H2,1-7H3;7-8H,4-6,9-12,18H2,1-3H3;4-5H,6-11,17H2,1-3H3;7-8H,6,9-10,16H2,1-5H3,(H,17,18);7-8H,6,9-10,16H2,1-5H3;6-7H,8-9,15H2,1-5H3/q6*+1.
What are the key properties of 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 1745.47 g/mol, XLogP of 12.78, 28 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;6,7-dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 158552660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).