[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine

C94H147N29O3 — CID 157232825

IUPAC[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+](C)(C)c1ccc(Nc2nn3ccccc3c2N)cc1.C[N+]1(C)CCCN(c2nn3ccccc3c2N)CC1.C[n+]1ccn(CCCOc2nn3ccccc3c2N)c1.Cc1ccc2c(N)c(N3CCC([N+](C)(C)CCO)C3)nn2c1C.Cc1ccc2c(N)c([N+]3(C)CCCC3)nn2c1C.Nc1c(N2CC[NH+](CCO)CC2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H28N5O.C16H20N5.C14H18N5O.C14H22N5.C14H21N4.C13H19N5O.6CH3/c1-12-5-6-15-16(18)17(19-21(15)13(12)2)20-8-7-14(11-20)22(3,4)9-10-23;1-21(2,3)13-9-7-12(8-10-13)18-16-15(17)14-6-4-5-11-20(14)19-16;1-17-8-9-18(11-17)6-4-10-20-14-13(15)12-5-2-3-7-19(12)16-14;1-19(2)10-5-7-17(9-11-19)14-13(15)12-6-3-4-8-18(12)16-14;1-10-6-7-12-13(15)14(16-17(12)11(10)2)18(3)8-4-5-9-18;14-12-11-3-1-2-4-18(11)15-13(12)17-7-5-16(6-8-17)9-10-19;;;;;;/h5-6,14,23H,7-11,18H2,1-4H3;4-11H,17H2,1-3H3,(H,18,19);2-3,5,7-9,11H,4,6,10,15H2,1H3;3-4,6,8H,5,7,9-11,15H2,1-2H3;6-7H,4-5,8-9,15H2,1-3H3;1-4,19H,5-10,14H2;6*1H3/q5*+1;;6*-1/p+1
InChIKeyAUHHIRMXDWJWCA-UHFFFAOYSA-O
MW1731.41 g/mol
LogP9.83
Rot. Bonds17

About [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine

[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 157232825) has the molecular formula C94H147N29O3 and a molecular weight of 1731.41 g/mol. Its IUPAC name is [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine
PubChem CID157232825
Molecular FormulaC94H147N29O3
Molecular Weight1731.41 g/mol
Exact Mass1730.22
IUPAC Name[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+](C)(C)c1ccc(Nc2nn3ccccc3c2N)cc1.C[N+]1(C)CCCN(c2nn3ccccc3c2N)CC1.C[n+]1ccn(CCCOc2nn3ccccc3c2N)c1.Cc1ccc2c(N)c(N3CCC([N+](C)(C)CCO)C3)nn2c1C.Cc1ccc2c(N)c([N+]3(C)CCCC3)nn2c1C.Nc1c(N2CC[NH+](CCO)CC2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H28N5O.C16H20N5.C14H18N5O.C14H22N5.C14H21N4.C13H19N5O.6CH3/c1-12-5-6-15-16(18)17(19-21(15)13(12)2)20-8-7-14(11-20)22(3,4)9-10-23;1-21(2,3)13-9-7-12(8-10-13)18-16-15(17)14-6-4-5-11-20(14)19-16;1-17-8-9-18(11-17)6-4-10-20-14-13(15)12-5-2-3-7-19(12)16-14;1-19(2)10-5-7-17(9-11-19)14-13(15)12-6-3-4-8-18(12)16-14;1-10-6-7-12-13(15)14(16-17(12)11(10)2)18(3)8-4-5-9-18;14-12-11-3-1-2-4-18(11)15-13(12)17-7-5-16(6-8-17)9-10-19;;;;;;/h5-6,14,23H,7-11,18H2,1-4H3;4-11H,17H2,1-3H3,(H,18,19);2-3,5,7-9,11H,4,6,10,15H2,1H3;3-4,6,8H,5,7,9-11,15H2,1-2H3;6-7H,4-5,8-9,15H2,1-3H3;1-4,19H,5-10,14H2;6*1H3/q5*+1;;6*-1/p+1
InChIKeyAUHHIRMXDWJWCA-UHFFFAOYSA-O
XLogP9.83
TPSA344.61 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001731.41
LogP ≤ 59.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine with MolForge

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Related Compounds

WO2022090481, Example I-022
CID 163273430
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
WO2022090481, Example I-029
CID 164514169
WO2022090481, Example I-199
CID 163273332
WO2022090481, Example I-025
CID 163273347
WO2022090481, Example I-172
CID 163273356
WO2022090481, Example I-189
CID 163273365
WO2022090481, Example I-024
CID 163273392
WO2022090481, Example I-178
CID 163273394

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine (CID 157232825) is [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine is C[N+](C)(C)c1ccc(Nc2nn3ccccc3c2N)cc1.C[N+]1(C)CCCN(c2nn3ccccc3c2N)CC1.C[n+]1ccn(CCCOc2nn3ccccc3c2N)c1.Cc1ccc2c(N)c(N3CCC([N+](C)(C)CCO)C3)nn2c1C.Cc1ccc2c(N)c([N+]3(C)CCCC3)nn2c1C.Nc1c(N2CC[NH+](CCO)CC2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is AUHHIRMXDWJWCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28N5O.C16H20N5.C14H18N5O.C14H22N5.C14H21N4.C13H19N5O.6CH3/c1-12-5-6-15-16(18)17(19-21(15)13(12)2)20-8-7-14(11-20)22(3,4)9-10-23;1-21(2,3)13-9-7-12(8-10-13)18-16-15(17)14-6-4-5-11-20(14)19-16;1-17-8-9-18(11-17)6-4-10-20-14-13(15)12-5-2-3-7-19(12)16-14;1-19(2)10-5-7-17(9-11-19)14-13(15)12-6-3-4-8-18(12)16-14;1-10-6-7-12-13(15)14(16-17(12)11(10)2)18(3)8-4-5-9-18;14-12-11-3-1-2-4-18(11)15-13(12)17-7-5-16(6-8-17)9-10-19;;;;;;/h5-6,14,23H,7-11,18H2,1-4H3;4-11H,17H2,1-3H3,(H,18,19);2-3,5,7-9,11H,4,6,10,15H2,1H3;3-4,6,8H,5,7,9-11,15H2,1-2H3;6-7H,4-5,8-9,15H2,1-3H3;1-4,19H,5-10,14H2;6*1H3/q5*+1;;6*-1/p+1.
What are the key properties of [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine?
[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 1731.41 g/mol, XLogP of 9.83, 17 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;[4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]phenyl]-trimethylazanium;2-[4-(3-aminopyrazolo[1,5-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanol;carbanide;2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;6,7-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine;2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 157232825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).