2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

C17H24N4O — CID 56781851

IUPAC2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN2CC(n3nc(C)cc3C)C2)c1C
InChIInChI=1S/C17H24N4O/c1-11-7-18-16(14(4)17(11)22-5)10-20-8-15(9-20)21-13(3)6-12(2)19-21/h6-7,15H,8-10H2,1-5H3
InChIKeyARQUGEDEQJLORC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.58
Rot. Bonds4

About 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 56781851) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID56781851
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN2CC(n3nc(C)cc3C)C2)c1C
InChIInChI=1S/C17H24N4O/c1-11-7-18-16(14(4)17(11)22-5)10-20-8-15(9-20)21-13(3)6-12(2)19-21/h6-7,15H,8-10H2,1-5H3
InChIKeyARQUGEDEQJLORC-UHFFFAOYSA-N
XLogP2.58
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (CID 56781851) is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CN2CC(n3nc(C)cc3C)C2)c1C.
What is the InChIKey of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is ARQUGEDEQJLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-7-18-16(14(4)17(11)22-5)10-20-8-15(9-20)21-13(3)6-12(2)19-21/h6-7,15H,8-10H2,1-5H3.
What are the key properties of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 300.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 56781851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).