(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C24H21F5N4O4S — CID 164550905

IUPAC(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC1(NC(=O)[C@@H]2CCc3c(-c4cc(OC(F)F)ccc4F)nn(-c4ncc(F)cc4F)c3C2)CS(=O)(=O)C1
InChIInChI=1S/C24H21F5N4O4S/c1-24(10-38(35,36)11-24)31-22(34)12-2-4-15-19(6-12)33(21-18(27)7-13(25)9-30-21)32-20(15)16-8-14(37-23(28)29)3-5-17(16)26/h3,5,7-9,12,23H,2,4,6,10-11H2,1H3,(H,31,34)/t12-/m1/s1
InChIKeyHAIANXCAVSPIAG-GFCCVEGCSA-N
MW556.51 g/mol
LogP3.36
Rot. Bonds6

About (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 164550905) has the molecular formula C24H21F5N4O4S and a molecular weight of 556.51 g/mol. Its IUPAC name is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID164550905
Molecular FormulaC24H21F5N4O4S
Molecular Weight556.51 g/mol
Exact Mass556.12
IUPAC Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC1(NC(=O)[C@@H]2CCc3c(-c4cc(OC(F)F)ccc4F)nn(-c4ncc(F)cc4F)c3C2)CS(=O)(=O)C1
InChIInChI=1S/C24H21F5N4O4S/c1-24(10-38(35,36)11-24)31-22(34)12-2-4-15-19(6-12)33(21-18(27)7-13(25)9-30-21)32-20(15)16-8-14(37-23(28)29)3-5-17(16)26/h3,5,7-9,12,23H,2,4,6,10-11H2,1H3,(H,31,34)/t12-/m1/s1
InChIKeyHAIANXCAVSPIAG-GFCCVEGCSA-N
XLogP3.36
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 164550905) is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is CC1(NC(=O)[C@@H]2CCc3c(-c4cc(OC(F)F)ccc4F)nn(-c4ncc(F)cc4F)c3C2)CS(=O)(=O)C1.
What is the InChIKey of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is HAIANXCAVSPIAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H21F5N4O4S/c1-24(10-38(35,36)11-24)31-22(34)12-2-4-15-19(6-12)33(21-18(27)7-13(25)9-30-21)32-20(15)16-8-14(37-23(28)29)3-5-17(16)26/h3,5,7-9,12,23H,2,4,6,10-11H2,1H3,(H,31,34)/t12-/m1/s1.
What are the key properties of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 556.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 164550905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).