2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine

C13H20N5+ — CID 57467855

IUPAC2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+]1(C)CCN(c2nn3ccccc3c2N)CC1
InChIInChI=1S/C13H20N5/c1-18(2)9-7-16(8-10-18)13-12(14)11-5-3-4-6-17(11)15-13/h3-6H,7-10,14H2,1-2H3/q+1
InChIKeyCZSLZGMXWVTPBD-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.81
Rot. Bonds1

About 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine

2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 57467855) has the molecular formula C13H20N5+ and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID57467855
Molecular FormulaC13H20N5+
Molecular Weight246.34 g/mol
Exact Mass246.17
IUPAC Name2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+]1(C)CCN(c2nn3ccccc3c2N)CC1
InChIInChI=1S/C13H20N5/c1-18(2)9-7-16(8-10-18)13-12(14)11-5-3-4-6-17(11)15-13/h3-6H,7-10,14H2,1-2H3/q+1
InChIKeyCZSLZGMXWVTPBD-UHFFFAOYSA-N
XLogP0.81
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
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-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine (CID 57467855) is 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine is C[N+]1(C)CCN(c2nn3ccccc3c2N)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is CZSLZGMXWVTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N5/c1-18(2)9-7-16(8-10-18)13-12(14)11-5-3-4-6-17(11)15-13/h3-6H,7-10,14H2,1-2H3/q+1.
What are the key properties of 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine?
2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 57467855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).