N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C13H21N5 — CID 90678705

IUPACN-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nn(C)c2nccc(NCCCN(C)C)c12
InChIInChI=1S/C13H21N5/c1-10-12-11(14-7-5-9-17(2)3)6-8-15-13(12)18(4)16-10/h6,8H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyDBOZOHVRTGKVQD-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.64
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 90678705) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID90678705
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nn(C)c2nccc(NCCCN(C)C)c12
InChIInChI=1S/C13H21N5/c1-10-12-11(14-7-5-9-17(2)3)6-8-15-13(12)18(4)16-10/h6,8H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyDBOZOHVRTGKVQD-UHFFFAOYSA-N
XLogP1.64
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 90678705) is N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1nn(C)c2nccc(NCCCN(C)C)c12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DBOZOHVRTGKVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-12-11(14-7-5-9-17(2)3)6-8-15-13(12)18(4)16-10/h6,8H,5,7,9H2,1-4H3,(H,14,15).
What are the key properties of N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 90678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).