N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine

C17H28N4 — CID 60976012

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C17H28N4/c1-5-6-7-8-9-13(2)18-11-15-10-16-14(3)20-21(4)17(16)19-12-15/h10,12-13,18H,5-9,11H2,1-4H3
InChIKeyNSGGIDANJQMIKO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds8

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine (PubChem CID 60976012) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine
PubChem CID60976012
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C17H28N4/c1-5-6-7-8-9-13(2)18-11-15-10-16-14(3)20-21(4)17(16)19-12-15/h10,12-13,18H,5-9,11H2,1-4H3
InChIKeyNSGGIDANJQMIKO-UHFFFAOYSA-N
XLogP3.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
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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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697655
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine
CID 63378566
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
CID 62403177
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 55032242
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107455
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282202
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 63772068
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine (CID 60976012) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine is CCCCCCC(C)NCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine?
The InChIKey is NSGGIDANJQMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-6-7-8-9-13(2)18-11-15-10-16-14(3)20-21(4)17(16)19-12-15/h10,12-13,18H,5-9,11H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]octan-2-amine is sourced from PubChem (CID 60976012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).