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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Related Compounds

Elimusertib
CID 118869362
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
4-(4-(1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472857
3-[5-(4-Ethylphenyl)-1-methylpyrazol-4-yl]-4-(3-methoxyazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 90006051
1-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)pyrrolidin-2-one
CID 118660560
N-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)acetamide
CID 118660815

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).