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

C23H21N5O2 — CID 118660837

IUPAC(3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3
InChIKeyMOIRAYXVFLWFTA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds4

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

(3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (PubChem CID 118660837) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
PubChem CID118660837
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name(3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3
InChIKeyMOIRAYXVFLWFTA-UHFFFAOYSA-N
XLogP3.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The IUPAC name of (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (CID 118660837) is (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The canonical SMILES for (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1.
What is the InChIKey of (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The InChIKey is MOIRAYXVFLWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3.
What are the key properties of (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
(3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is sourced from PubChem (CID 118660837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).