2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine

C16H26N5+ — CID 70960050

IUPAC2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCCCNc2nn3ccccc3c2N)CCCC1
InChIInChI=1S/C16H26N5/c1-21(12-6-7-13-21)11-5-3-9-18-16-15(17)14-8-2-4-10-20(14)19-16/h2,4,8,10H,3,5-7,9,11-13,17H2,1H3,(H,18,19)/q+1
InChIKeyMEYFOLIXPVLUHD-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.35
Rot. Bonds6

About 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine

2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 70960050) has the molecular formula C16H26N5+ and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID70960050
Molecular FormulaC16H26N5+
Molecular Weight288.42 g/mol
Exact Mass288.22
IUPAC Name2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCCCNc2nn3ccccc3c2N)CCCC1
InChIInChI=1S/C16H26N5/c1-21(12-6-7-13-21)11-5-3-9-18-16-15(17)14-8-2-4-10-20(14)19-16/h2,4,8,10H,3,5-7,9,11-13,17H2,1H3,(H,18,19)/q+1
InChIKeyMEYFOLIXPVLUHD-UHFFFAOYSA-N
XLogP2.35
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine (CID 70960050) is 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine is C[N+]1(CCCCNc2nn3ccccc3c2N)CCCC1.
What is the InChIKey of 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is MEYFOLIXPVLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N5/c1-21(12-6-7-13-21)11-5-3-9-18-16-15(17)14-8-2-4-10-20(14)19-16/h2,4,8,10H,3,5-7,9,11-13,17H2,1H3,(H,18,19)/q+1.
What are the key properties of 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 288.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 70960050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).