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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Related Compounds

Ocinaplon
CID 216456
Jqez5
CID 121322599
GSK-3|A inhibitor 13
CID 134551592
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
US10100058, Example 141
CID 134539903
US10774086, Example 17
CID 134551553

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).