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

C22H17F2N5O — CID 118660717

IUPAC(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1
InChIInChI=1S/C22H17F2N5O/c1-28-11-17(9-26-28)14-2-4-15(5-3-14)18-10-25-8-16-6-7-19(27-20(16)18)21(30)29-12-22(23,24)13-29/h2-11H,12-13H2,1H3
InChIKeyVWJSHXLEQJGMPN-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.79
Rot. Bonds3

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

(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (PubChem CID 118660717) has the molecular formula C22H17F2N5O and a molecular weight of 405.41 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
PubChem CID118660717
Molecular FormulaC22H17F2N5O
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1
InChIInChI=1S/C22H17F2N5O/c1-28-11-17(9-26-28)14-2-4-15(5-3-14)18-10-25-8-16-6-7-19(27-20(16)18)21(30)29-12-22(23,24)13-29/h2-11H,12-13H2,1H3
InChIKeyVWJSHXLEQJGMPN-UHFFFAOYSA-N
XLogP3.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (CID 118660717) is (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The InChIKey is VWJSHXLEQJGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O/c1-28-11-17(9-26-28)14-2-4-15(5-3-14)18-10-25-8-16-6-7-19(27-20(16)18)21(30)29-12-22(23,24)13-29/h2-11H,12-13H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone has a molecular weight of 405.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is sourced from PubChem (CID 118660717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).