2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride

C16H30Cl3N5 — CID 68814595

IUPAC2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride
SMILESCC(C)[N+](C)(CCNc1nn2ccccc2c1N)C(C)C.Cl.Cl.[Cl-]
InChIInChI=1S/C16H28N5.3ClH/c1-12(2)21(5,13(3)4)11-9-18-16-15(17)14-8-6-7-10-20(14)19-16;;;/h6-8,10,12-13H,9,11,17H2,1-5H3,(H,18,19);3*1H/q+1;;;/p-1
InChIKeyFTSVIPUGFKKSLO-UHFFFAOYSA-M
MW398.81 g/mol
LogP0.44
Rot. Bonds6

About 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride

2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride (PubChem CID 68814595) has the molecular formula C16H30Cl3N5 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride.

Molecular Properties

Compound Name2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride
PubChem CID68814595
Molecular FormulaC16H30Cl3N5
Molecular Weight398.81 g/mol
Exact Mass397.16
IUPAC Name2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride
SMILESCC(C)[N+](C)(CCNc1nn2ccccc2c1N)C(C)C.Cl.Cl.[Cl-]
InChIInChI=1S/C16H28N5.3ClH/c1-12(2)21(5,13(3)4)11-9-18-16-15(17)14-8-6-7-10-20(14)19-16;;;/h6-8,10,12-13H,9,11,17H2,1-5H3,(H,18,19);3*1H/q+1;;;/p-1
InChIKeyFTSVIPUGFKKSLO-UHFFFAOYSA-M
XLogP0.44
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridazine
CID 137656007
6-(6-Methylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridazine
CID 89914658
Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322057
N-cycloheptyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033450
N-cyclooctyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033451
1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
4-N,4-N-dimethyl-1-N-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)cyclohexane-1,4-diamine
CID 145990152
N-(pyrazolo[1,5-a]pyridin-2-yl)acetamide
CID 22402079
N-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53375081
N-Pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
CID 132317237

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride?
The IUPAC name of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride (CID 68814595) is 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride.
What is the SMILES notation for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride?
The canonical SMILES for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride is CC(C)[N+](C)(CCNc1nn2ccccc2c1N)C(C)C.Cl.Cl.[Cl-].
What is the InChIKey of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride?
The InChIKey is FTSVIPUGFKKSLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28N5.3ClH/c1-12(2)21(5,13(3)4)11-9-18-16-15(17)14-8-6-7-10-20(14)19-16;;;/h6-8,10,12-13H,9,11,17H2,1-5H3,(H,18,19);3*1H/q+1;;;/p-1.
What are the key properties of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride?
2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride has a molecular weight of 398.81 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride is sourced from PubChem (CID 68814595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).