2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H19N7O — CID 91836216

IUPAC2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc2nc(CN3CCN(c4ncccc4C#N)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H19N7O/c1-13-9-16-21-15(10-17(26)25(16)22-13)12-23-5-7-24(8-6-23)18-14(11-19)3-2-4-20-18/h2-4,9-10,22H,5-8,12H2,1H3
InChIKeyLRDVNOHCFRUXRB-UHFFFAOYSA-N
MW349.40 g/mol
LogP0.92
Rot. Bonds3

About 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 91836216) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID91836216
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc2nc(CN3CCN(c4ncccc4C#N)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H19N7O/c1-13-9-16-21-15(10-17(26)25(16)22-13)12-23-5-7-24(8-6-23)18-14(11-19)3-2-4-20-18/h2-4,9-10,22H,5-8,12H2,1H3
InChIKeyLRDVNOHCFRUXRB-UHFFFAOYSA-N
XLogP0.92
TPSA93.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 91836216) is 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc2nc(CN3CCN(c4ncccc4C#N)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LRDVNOHCFRUXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-13-9-16-21-15(10-17(26)25(16)22-13)12-23-5-7-24(8-6-23)18-14(11-19)3-2-4-20-18/h2-4,9-10,22H,5-8,12H2,1H3.
What are the key properties of 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 91836216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).