2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride

C15H26Cl3N5 — CID 68817273

IUPAC2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCCC1.Cl.Cl.[Cl-]
InChIInChI=1S/C15H24N5.3ClH/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15;;;/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18);3*1H/q+1;;;/p-1
InChIKeyJBLLUVYEGFWKCM-UHFFFAOYSA-M
MW382.77 g/mol
LogP-0.19
Rot. Bonds4

About 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride

2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride (PubChem CID 68817273) has the molecular formula C15H26Cl3N5 and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride.

Molecular Properties

Compound Name2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride
PubChem CID68817273
Molecular FormulaC15H26Cl3N5
Molecular Weight382.77 g/mol
Exact Mass381.13
IUPAC Name2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCCC1.Cl.Cl.[Cl-]
InChIInChI=1S/C15H24N5.3ClH/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15;;;/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18);3*1H/q+1;;;/p-1
InChIKeyJBLLUVYEGFWKCM-UHFFFAOYSA-M
XLogP-0.19
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride?
The IUPAC name of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride (CID 68817273) is 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride.
What is the SMILES notation for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride?
The canonical SMILES for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride is C[N+]1(CCNc2nn3ccccc3c2N)CCCCC1.Cl.Cl.[Cl-].
What is the InChIKey of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride?
The InChIKey is JBLLUVYEGFWKCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N5.3ClH/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15;;;/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18);3*1H/q+1;;;/p-1.
What are the key properties of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride?
2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride has a molecular weight of 382.77 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;dihydrochloride is sourced from PubChem (CID 68817273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).