N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine

C13H20N4 — CID 55241694

IUPACN-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2c(cnn2CCC)c1
InChIInChI=1S/C13H20N4/c1-3-5-14-8-11-7-12-10-16-17(6-4-2)13(12)15-9-11/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIQJSOBVSGDEQPT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds6

About N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine

N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine (PubChem CID 55241694) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
PubChem CID55241694
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2c(cnn2CCC)c1
InChIInChI=1S/C13H20N4/c1-3-5-14-8-11-7-12-10-16-17(6-4-2)13(12)15-9-11/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIQJSOBVSGDEQPT-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine (CID 55241694) is N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine is CCCNCc1cnc2c(cnn2CCC)c1.
What is the InChIKey of N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The InChIKey is IQJSOBVSGDEQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-5-14-8-11-7-12-10-16-17(6-4-2)13(12)15-9-11/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 55241694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).