2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide

C24H20F2N4O3 — CID 118383975

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C24H20F2N4O3/c1-13-4-9-20(28-21(13)14-5-6-15-12-27-30-17(15)10-14)29-22(31)23(2,3)16-7-8-18-19(11-16)33-24(25,26)32-18/h4-12H,1-3H3,(H,27,30)(H,28,29,31)
InChIKeyULFFHWQKUWFOEY-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.17
Rot. Bonds4

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide (PubChem CID 118383975) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide
PubChem CID118383975
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C24H20F2N4O3/c1-13-4-9-20(28-21(13)14-5-6-15-12-27-30-17(15)10-14)29-22(31)23(2,3)16-7-8-18-19(11-16)33-24(25,26)32-18/h4-12H,1-3H3,(H,27,30)(H,28,29,31)
InChIKeyULFFHWQKUWFOEY-UHFFFAOYSA-N
XLogP5.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide (CID 118383975) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide?
The InChIKey is ULFFHWQKUWFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-13-4-9-20(28-21(13)14-5-6-15-12-27-30-17(15)10-14)29-22(31)23(2,3)16-7-8-18-19(11-16)33-24(25,26)32-18/h4-12H,1-3H3,(H,27,30)(H,28,29,31).
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide has a molecular weight of 450.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-6-yl)-5-methyl-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 118383975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).