2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C22H20N6O2 — CID 134558276

IUPAC2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCOC1CN(c2cc(C(N)=O)cc(-c3cnn4ccc(-c5ccccc5)nc34)n2)C1
InChIInChI=1S/C22H20N6O2/c1-30-16-12-27(13-16)20-10-15(21(23)29)9-19(25-20)17-11-24-28-8-7-18(26-22(17)28)14-5-3-2-4-6-14/h2-11,16H,12-13H2,1H3,(H2,23,29)
InChIKeyYRENGBUZNXNLCT-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.39
Rot. Bonds5

About 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134558276) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134558276
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCOC1CN(c2cc(C(N)=O)cc(-c3cnn4ccc(-c5ccccc5)nc34)n2)C1
InChIInChI=1S/C22H20N6O2/c1-30-16-12-27(13-16)20-10-15(21(23)29)9-19(25-20)17-11-24-28-8-7-18(26-22(17)28)14-5-3-2-4-6-14/h2-11,16H,12-13H2,1H3,(H2,23,29)
InChIKeyYRENGBUZNXNLCT-UHFFFAOYSA-N
XLogP2.39
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134558276) is 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is COC1CN(c2cc(C(N)=O)cc(-c3cnn4ccc(-c5ccccc5)nc34)n2)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is YRENGBUZNXNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-16-12-27(13-16)20-10-15(21(23)29)9-19(25-20)17-11-24-28-8-7-18(26-22(17)28)14-5-3-2-4-6-14/h2-11,16H,12-13H2,1H3,(H2,23,29).
What are the key properties of 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134558276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).