2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine

C22H21N5O — CID 118660757

IUPAC2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCOC1CN(c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C22H21N5O/c1-26-12-18(10-24-26)15-3-5-16(6-4-15)20-11-23-9-17-7-8-21(25-22(17)20)27-13-19(14-27)28-2/h3-12,19H,13-14H2,1-2H3
InChIKeySLMBTUSZZKPYMQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.53
Rot. Bonds4

About 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine

2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (PubChem CID 118660757) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
PubChem CID118660757
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCOC1CN(c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C22H21N5O/c1-26-12-18(10-24-26)15-3-5-16(6-4-15)20-11-23-9-17-7-8-21(25-22(17)20)27-13-19(14-27)28-2/h3-12,19H,13-14H2,1-2H3
InChIKeySLMBTUSZZKPYMQ-UHFFFAOYSA-N
XLogP3.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (CID 118660757) is 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is COC1CN(c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The InChIKey is SLMBTUSZZKPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-12-18(10-24-26)15-3-5-16(6-4-15)20-11-23-9-17-7-8-21(25-22(17)20)27-13-19(14-27)28-2/h3-12,19H,13-14H2,1-2H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine has a molecular weight of 371.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 118660757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).