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

C20H21F2N5O — CID 118382092

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

5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide (PubChem CID 118382092) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide
• PubChem CID: 118382092
• Molecular Formula: C20H21F2N5O
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.17
• IUPAC Name: 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide
• SMILES: CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CC(F)(F)C4)c3)cc12
• InChI: InChI=1S/C20H21F2N5O/c1-12(2)24-19(28)18-16-6-14(3-4-17(16)25-26-18)15-5-13(7-23-8-15)9-27-10-20(21,22)11-27/h3-8,12H,9-11H2,1-2H3,(H,24,28)(H,25,26)
• InChIKey: RHXNVGWNALGGQM-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide (CID 118382092) is 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide is CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CC(F)(F)C4)c3)cc12.

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

The InChIKey is RHXNVGWNALGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-12(2)24-19(28)18-16-6-14(3-4-17(16)25-26-18)15-5-13(7-23-8-15)9-27-10-20(21,22)11-27/h3-8,12H,9-11H2,1-2H3,(H,24,28)(H,25,26).

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

5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).