1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one

C16H16N6O — CID 71253759

IUPAC1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one
SMILESCN1CCN(c2cc3c(-c4ccccn4)n[nH]c3cn2)CC1=O
InChIInChI=1S/C16H16N6O/c1-21-6-7-22(10-15(21)23)14-8-11-13(9-18-14)19-20-16(11)12-4-2-3-5-17-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyNPQARTQLSPTNNM-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.30
Rot. Bonds2

About 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one

1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one (PubChem CID 71253759) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one
PubChem CID71253759
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one
SMILESCN1CCN(c2cc3c(-c4ccccn4)n[nH]c3cn2)CC1=O
InChIInChI=1S/C16H16N6O/c1-21-6-7-22(10-15(21)23)14-8-11-13(9-18-14)19-20-16(11)12-4-2-3-5-17-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyNPQARTQLSPTNNM-UHFFFAOYSA-N
XLogP1.30
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one (CID 71253759) is 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one is CN1CCN(c2cc3c(-c4ccccn4)n[nH]c3cn2)CC1=O.
What is the InChIKey of 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one?
The InChIKey is NPQARTQLSPTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-21-6-7-22(10-15(21)23)14-8-11-13(9-18-14)19-20-16(11)12-4-2-3-5-17-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one?
1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one has a molecular weight of 308.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one is sourced from PubChem (CID 71253759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).