2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine

C12H19N5 — CID 70831093

IUPAC2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCNc1c(NCCN(C)C)nn2ccccc12
InChIInChI=1S/C12H19N5/c1-13-11-10-6-4-5-8-17(10)15-12(11)14-7-9-16(2)3/h4-6,8,13H,7,9H2,1-3H3,(H,14,15)
InChIKeyPIYKITGDLYWTOQ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.35
Rot. Bonds5

About 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine

2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 70831093) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID70831093
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCNc1c(NCCN(C)C)nn2ccccc12
InChIInChI=1S/C12H19N5/c1-13-11-10-6-4-5-8-17(10)15-12(11)14-7-9-16(2)3/h4-6,8,13H,7,9H2,1-3H3,(H,14,15)
InChIKeyPIYKITGDLYWTOQ-UHFFFAOYSA-N
XLogP1.35
TPSA44.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine (CID 70831093) is 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine is CNc1c(NCCN(C)C)nn2ccccc12.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is PIYKITGDLYWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-13-11-10-6-4-5-8-17(10)15-12(11)14-7-9-16(2)3/h4-6,8,13H,7,9H2,1-3H3,(H,14,15).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 70831093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).