3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C16H24N6O — CID 136571775

IUPAC3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)N(C)C3CCN(C)CC3)cc12
InChIInChI=1S/C16H24N6O/c1-11-14-9-12(10-17-15(14)22(4)19-11)18-16(23)21(3)13-5-7-20(2)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,18,23)
InChIKeyIRSXNJXHNMKNJB-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.83
Rot. Bonds2

About 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 136571775) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID136571775
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)N(C)C3CCN(C)CC3)cc12
InChIInChI=1S/C16H24N6O/c1-11-14-9-12(10-17-15(14)22(4)19-11)18-16(23)21(3)13-5-7-20(2)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,18,23)
InChIKeyIRSXNJXHNMKNJB-UHFFFAOYSA-N
XLogP1.83
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 136571775) is 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is Cc1nn(C)c2ncc(NC(=O)N(C)C3CCN(C)CC3)cc12.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is IRSXNJXHNMKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-14-9-12(10-17-15(14)22(4)19-11)18-16(23)21(3)13-5-7-20(2)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,18,23).
What are the key properties of 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 316.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 136571775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).