1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine

C13H20N4 — CID 67007936

IUPAC1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCCCCNc1ccnc2c1c(C)nn2C
InChIInChI=1S/C13H20N4/c1-4-5-6-8-14-11-7-9-15-13-12(11)10(2)16-17(13)3/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyVIXDJDGPXMGEKB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.88
Rot. Bonds5

About 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine

1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 67007936) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID67007936
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCCCCNc1ccnc2c1c(C)nn2C
InChIInChI=1S/C13H20N4/c1-4-5-6-8-14-11-7-9-15-13-12(11)10(2)16-17(13)3/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyVIXDJDGPXMGEKB-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.88
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[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 90678705
(E)-N-[2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)amino]ethyl]-4,4,4-trifluorobut-2-enamide
CID 56947337
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 53443506
1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
CID 167784759
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-bromo-N-pentylpyridin-3-amine
CID 88814302
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431932
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine (CID 67007936) is 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine is CCCCCNc1ccnc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is VIXDJDGPXMGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-5-6-8-14-11-7-9-15-13-12(11)10(2)16-17(13)3/h7,9H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine?
1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-pentylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 67007936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).