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

C15H17N7O — CID 71253757

IUPAC1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESCN1CCN(c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)CC1=O
InChIInChI=1S/C15H17N7O/c1-20-3-4-22(9-14(20)23)13-5-11-12(7-16-13)18-19-15(11)10-6-17-21(2)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyICPJNKZRRSUMIH-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.64
Rot. Bonds2

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

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (PubChem CID 71253757) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
PubChem CID71253757
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESCN1CCN(c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)CC1=O
InChIInChI=1S/C15H17N7O/c1-20-3-4-22(9-14(20)23)13-5-11-12(7-16-13)18-19-15(11)10-6-17-21(2)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyICPJNKZRRSUMIH-UHFFFAOYSA-N
XLogP0.64
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (CID 71253757) is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is CN1CCN(c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)CC1=O.
What is the InChIKey of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The InChIKey is ICPJNKZRRSUMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-20-3-4-22(9-14(20)23)13-5-11-12(7-16-13)18-19-15(11)10-6-17-21(2)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one has a molecular weight of 311.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 71253757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).