N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide

C14H20N6O — CID 60850378

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3CCNCC3)cc12
InChIInChI=1S/C14H20N6O/c1-10-12-7-11(8-16-14(12)19(2)18-10)17-13(21)9-20-5-3-15-4-6-20/h7-8,15H,3-6,9H2,1-2H3,(H,17,21)
InChIKeyRMTYHGAZAXFXNI-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.12
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide (PubChem CID 60850378) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
PubChem CID60850378
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3CCNCC3)cc12
InChIInChI=1S/C14H20N6O/c1-10-12-7-11(8-16-14(12)19(2)18-10)17-13(21)9-20-5-3-15-4-6-20/h7-8,15H,3-6,9H2,1-2H3,(H,17,21)
InChIKeyRMTYHGAZAXFXNI-UHFFFAOYSA-N
XLogP0.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide (CID 60850378) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide is Cc1nn(C)c2ncc(NC(=O)CN3CCNCC3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide?
The InChIKey is RMTYHGAZAXFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-12-7-11(8-16-14(12)19(2)18-10)17-13(21)9-20-5-3-15-4-6-20/h7-8,15H,3-6,9H2,1-2H3,(H,17,21).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide has a molecular weight of 288.36 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).