3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine

C16H20N6 — CID 44603099

IUPAC3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine
SMILESCC(C)(N)CCNc1cccc(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C16H20N6/c1-16(2,17)8-10-18-13-7-3-6-12(20-13)14-11-5-4-9-19-15(11)22-21-14/h3-7,9H,8,10,17H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyUPIJMTLSZQAQDF-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.56
Rot. Bonds5

About 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine

3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine (PubChem CID 44603099) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine
PubChem CID44603099
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine
SMILESCC(C)(N)CCNc1cccc(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C16H20N6/c1-16(2,17)8-10-18-13-7-3-6-12(20-13)14-11-5-4-9-19-15(11)22-21-14/h3-7,9H,8,10,17H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyUPIJMTLSZQAQDF-UHFFFAOYSA-N
XLogP2.56
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine with MolForge

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Related Compounds

2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol
CID 44624114
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
CID 159524618
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738
molecular hydrogen;trans-(1S,2R)-2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]cyclohexan-1-amine
CID 161066335
N-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 44624733
(3R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 158919449
3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 174914335
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 44624808
methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 58057636
3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 91667303
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine (CID 44603099) is 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine is CC(C)(N)CCNc1cccc(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine?
The InChIKey is UPIJMTLSZQAQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-16(2,17)8-10-18-13-7-3-6-12(20-13)14-11-5-4-9-19-15(11)22-21-14/h3-7,9H,8,10,17H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine?
3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine has a molecular weight of 296.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine is sourced from PubChem (CID 44603099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).