4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one

C18H19N7O — CID 69235142

IUPAC4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)C(=O)C1
InChIInChI=1S/C18H19N7O/c1-23-10-11-24(18(26)13-23)14-6-7-15(19-12-14)21-16-4-2-5-17(22-16)25-9-3-8-20-25/h2-9,12H,10-11,13H2,1H3,(H,19,21,22)
InChIKeyZHTCJANGQKPWHB-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.68
Rot. Bonds4

About 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one

4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one (PubChem CID 69235142) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
PubChem CID69235142
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)C(=O)C1
InChIInChI=1S/C18H19N7O/c1-23-10-11-24(18(26)13-23)14-6-7-15(19-12-14)21-16-4-2-5-17(22-16)25-9-3-8-20-25/h2-9,12H,10-11,13H2,1H3,(H,19,21,22)
InChIKeyZHTCJANGQKPWHB-UHFFFAOYSA-N
XLogP1.68
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one (CID 69235142) is 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one is CN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one?
The InChIKey is ZHTCJANGQKPWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-23-10-11-24(18(26)13-23)14-6-7-15(19-12-14)21-16-4-2-5-17(22-16)25-9-3-8-20-25/h2-9,12H,10-11,13H2,1H3,(H,19,21,22).
What are the key properties of 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one?
4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one has a molecular weight of 349.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 69235142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).