6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide

C20H22F2N4O4S — CID 121364958

IUPAC6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)
InChIKeyKCKMLTMGAUALMW-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.89
Rot. Bonds7

About 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 121364958) has the molecular formula C20H22F2N4O4S and a molecular weight of 452.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID121364958
Molecular FormulaC20H22F2N4O4S
Molecular Weight452.48 g/mol
Exact Mass452.13
IUPAC Name6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)
InChIKeyKCKMLTMGAUALMW-UHFFFAOYSA-N
XLogP2.89
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-(3-methylsulfonylpropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364969
methyl 2-(3,3-dichloro-3-hydroxypropyl)-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121371008
3-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]propane-1-sulfinate
CID 154976393
N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364946
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-(difluoromethyl)-2-pyridinyl]-6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazole-5-carboxamide
CID 155444096
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide (CID 121364958) is 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is KCKMLTMGAUALMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27).
What are the key properties of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121364958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).