2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile

C21H19N5O3 — CID 122252461

IUPAC2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)n(C)n1
InChIInChI=1S/C21H19N5O3/c1-25-18(10-17(24-25)16-5-3-4-6-19(16)28-2)21(27)26-12-15(13-26)29-20-9-14(11-22)7-8-23-20/h3-10,15H,12-13H2,1-2H3
InChIKeyRRJFEHBJHMHUIR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252461) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252461
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)n(C)n1
InChIInChI=1S/C21H19N5O3/c1-25-18(10-17(24-25)16-5-3-4-6-19(16)28-2)21(27)26-12-15(13-26)29-20-9-14(11-22)7-8-23-20/h3-10,15H,12-13H2,1-2H3
InChIKeyRRJFEHBJHMHUIR-UHFFFAOYSA-N
XLogP2.27
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162591
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161440
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259907
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252219
2-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252453
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122258955
2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252420

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252461) is 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile is COc1ccccc1-c1cc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)n(C)n1.
What is the InChIKey of 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is RRJFEHBJHMHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25-18(10-17(24-25)16-5-3-4-6-19(16)28-2)21(27)26-12-15(13-26)29-20-9-14(11-22)7-8-23-20/h3-10,15H,12-13H2,1-2H3.
What are the key properties of 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 389.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).