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

C22H25F2N5O — CID 118381224

IUPAC5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C22H25F2N5O/c1-3-17(4-2)26-21(30)20-18-8-15(5-6-19(18)27-28-20)16-7-14(9-25-10-16)11-29-12-22(23,24)13-29/h5-10,17H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyOSACZMDYLNMABK-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.99
Rot. Bonds7

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

5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381224) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide
PubChem CID118381224
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C22H25F2N5O/c1-3-17(4-2)26-21(30)20-18-8-15(5-6-19(18)27-28-20)16-7-14(9-25-10-16)11-29-12-22(23,24)13-29/h5-10,17H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyOSACZMDYLNMABK-UHFFFAOYSA-N
XLogP3.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide (CID 118381224) is 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide is CCC(CC)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-pentan-3-yl-1H-indazole-3-carboxamide?
The InChIKey is OSACZMDYLNMABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-3-17(4-2)26-21(30)20-18-8-15(5-6-19(18)27-28-20)16-7-14(9-25-10-16)11-29-12-22(23,24)13-29/h5-10,17H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide?
5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-pentan-3-yl-1H-indazole-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.99, 7 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-pentan-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).