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

C14H23Cl2N5 — CID 68813723

IUPAC2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCC1.Cl.[Cl-]
InChIInChI=1S/C14H22N5.2ClH/c1-19(9-4-5-10-19)11-7-16-14-13(15)12-6-2-3-8-18(12)17-14;;/h2-3,6,8H,4-5,7,9-11,15H2,1H3,(H,16,17);2*1H/q+1;;/p-1
InChIKeyOSYWWWGNRAGTOO-UHFFFAOYSA-M
MW332.28 g/mol
LogP-1.01
Rot. Bonds4

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

2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride (PubChem CID 68813723) has the molecular formula C14H23Cl2N5 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride.

Molecular Properties

Compound Name2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride
PubChem CID68813723
Molecular FormulaC14H23Cl2N5
Molecular Weight332.28 g/mol
Exact Mass331.13
IUPAC Name2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCC1.Cl.[Cl-]
InChIInChI=1S/C14H22N5.2ClH/c1-19(9-4-5-10-19)11-7-16-14-13(15)12-6-2-3-8-18(12)17-14;;/h2-3,6,8H,4-5,7,9-11,15H2,1H3,(H,16,17);2*1H/q+1;;/p-1
InChIKeyOSYWWWGNRAGTOO-UHFFFAOYSA-M
XLogP-1.01
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 5-1.01
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-Methyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine
CID 11494318
N-(5-methyl-1H-pyrazol-3-yl)-2-(piperazin-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 53319638
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
1,6-Dimethyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine
CID 11586663
1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
N-(pyrazolo[1,5-a]pyridin-2-yl)acetamide
CID 22402079
(Z)-3-methyl-1-phenyl-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-imine
CID 1536762
6-imidazo[1,2-a]pyridin-3-yl-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 44448908
N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118711764
3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)benzotriazol-5-amine
CID 145982965
4-N,4-N-dimethyl-1-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylcyclohexane-1,4-diamine
CID 145987619
N-Methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89101960

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride?
The IUPAC name of 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride (CID 68813723) is 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride.
What is the SMILES notation for 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride?
The canonical SMILES for 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride is C[N+]1(CCNc2nn3ccccc3c2N)CCCC1.Cl.[Cl-].
What is the InChIKey of 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride?
The InChIKey is OSYWWWGNRAGTOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N5.2ClH/c1-19(9-4-5-10-19)11-7-16-14-13(15)12-6-2-3-8-18(12)17-14;;/h2-3,6,8H,4-5,7,9-11,15H2,1H3,(H,16,17);2*1H/q+1;;/p-1.
What are the key properties of 2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride?
2-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride has a molecular weight of 332.28 g/mol, XLogP of -1.01, 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-methylpyrrolidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;chloride;hydrochloride is sourced from PubChem (CID 68813723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).