5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole

C16H16FN5O — CID 162672704

IUPAC5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(OCC4(F)CNC4)n3)cc12
InChIInChI=1S/C16H16FN5O/c1-10-12-4-11(2-3-13(12)22-21-10)14-5-18-6-15(20-14)23-9-16(17)7-19-8-16/h2-6,19H,7-9H2,1H3,(H,21,22)
InChIKeyCXHDPTXKMJCIQC-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.02
Rot. Bonds4

About 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole

5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole (PubChem CID 162672704) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole
PubChem CID162672704
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(OCC4(F)CNC4)n3)cc12
InChIInChI=1S/C16H16FN5O/c1-10-12-4-11(2-3-13(12)22-21-10)14-5-18-6-15(20-14)23-9-16(17)7-19-8-16/h2-6,19H,7-9H2,1H3,(H,21,22)
InChIKeyCXHDPTXKMJCIQC-UHFFFAOYSA-N
XLogP2.02
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole?
The IUPAC name of 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole (CID 162672704) is 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole.
What is the SMILES notation for 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole?
The canonical SMILES for 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole is Cc1[nH]nc2ccc(-c3cncc(OCC4(F)CNC4)n3)cc12.
What is the InChIKey of 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole?
The InChIKey is CXHDPTXKMJCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-12-4-11(2-3-13(12)22-21-10)14-5-18-6-15(20-14)23-9-16(17)7-19-8-16/h2-6,19H,7-9H2,1H3,(H,21,22).
What are the key properties of 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole?
5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole has a molecular weight of 313.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-fluoroazetidin-3-yl)methoxy]pyrazin-2-yl]-3-methyl-2H-indazole is sourced from PubChem (CID 162672704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).