N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

C15H25N5 — CID 60975578

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C15H25N5/c1-5-20(6-2)8-7-16-10-13-9-14-12(3)18-19(4)15(14)17-11-13/h9,11,16H,5-8,10H2,1-4H3
InChIKeyNBZSOXGALQEPMI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.71
Rot. Bonds7

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 60975578) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID60975578
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C15H25N5/c1-5-20(6-2)8-7-16-10-13-9-14-12(3)18-19(4)15(14)17-11-13/h9,11,16H,5-8,10H2,1-4H3
InChIKeyNBZSOXGALQEPMI-UHFFFAOYSA-N
XLogP1.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 60976627
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (CID 60975578) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is NBZSOXGALQEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-20(6-2)8-7-16-10-13-9-14-12(3)18-19(4)15(14)17-11-13/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 275.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 60975578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).