N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide

C22H15F4N5O — CID 118382069

About N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide

N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide (PubChem CID 118382069) has the molecular formula C22H15F4N5O and a molecular weight of 441.39 g/mol. Its IUPAC name is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide
• PubChem CID: 118382069
• Molecular Formula: C22H15F4N5O
• Molecular Weight: 441.39 g/mol
• Exact Mass: 441.12
• IUPAC Name: N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
• InChI: InChI=1S/C22H15F4N5O/c23-16-3-1-2-14(19(16)24)12-4-6-17-15(8-12)20(30-29-17)21(32)28-13-5-7-18(27-9-13)31-10-22(25,26)11-31/h1-9H,10-11H2,(H,28,32)(H,29,30)
• InChIKey: MWVGTXVDLVARER-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.39
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide (CID 118382069) is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.

What is the InChIKey of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide?

The InChIKey is MWVGTXVDLVARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O/c23-16-3-1-2-14(19(16)24)12-4-6-17-15(8-12)20(30-29-17)21(32)28-13-5-7-18(27-9-13)31-10-22(25,26)11-31/h1-9H,10-11H2,(H,28,32)(H,29,30).

What are the key properties of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide?

N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide has a molecular weight of 441.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).