1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

C21H22FN7O3S — CID 170968733

IUPAC1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC(C)(F)C3)ccn2)c1
InChIInChI=1S/C21H22FN7O3S/c1-21(22)12-28(13-21)15-6-7-23-18(8-15)29-11-16(10-25-29)33(30,31)26-19-17(32-3)5-4-14-9-24-27(2)20(14)19/h4-11,26H,12-13H2,1-3H3
InChIKeyJOWPQCUGLLEDIM-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968733) has the molecular formula C21H22FN7O3S and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968733
Molecular FormulaC21H22FN7O3S
Molecular Weight471.52 g/mol
Exact Mass471.15
IUPAC Name1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC(C)(F)C3)ccn2)c1
InChIInChI=1S/C21H22FN7O3S/c1-21(22)12-28(13-21)15-6-7-23-18(8-15)29-11-16(10-25-29)33(30,31)26-19-17(32-3)5-4-14-9-24-27(2)20(14)19/h4-11,26H,12-13H2,1-3H3
InChIKeyJOWPQCUGLLEDIM-UHFFFAOYSA-N
XLogP2.51
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968733) is 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC(C)(F)C3)ccn2)c1.
What is the InChIKey of 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is JOWPQCUGLLEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O3S/c1-21(22)12-28(13-21)15-6-7-23-18(8-15)29-11-16(10-25-29)33(30,31)26-19-17(32-3)5-4-14-9-24-27(2)20(14)19/h4-11,26H,12-13H2,1-3H3.
What are the key properties of 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 471.52 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).