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

C24H25F3N4O4S2 — CID 169222636

IUPAC(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CS(=O)(=O)C1)CC2
InChIInChI=1S/C24H25F3N4O4S2/c1-13(22-28-7-8-36-22)31-19-9-14(21(32)29-24(2)11-37(33,34)12-24)3-5-16(19)20(30-31)17-10-15(35-23(26)27)4-6-18(17)25/h4,6-8,10,13-14,23H,3,5,9,11-12H2,1-2H3,(H,29,32)/t13?,14-/m1/s1
InChIKeyWPUUGRPOOPFEMZ-ARLHGKGLSA-N
MW554.62 g/mol
LogP3.76
Rot. Bonds7

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

(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 169222636) has the molecular formula C24H25F3N4O4S2 and a molecular weight of 554.62 g/mol. Its IUPAC name is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID169222636
Molecular FormulaC24H25F3N4O4S2
Molecular Weight554.62 g/mol
Exact Mass554.13
IUPAC Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CS(=O)(=O)C1)CC2
InChIInChI=1S/C24H25F3N4O4S2/c1-13(22-28-7-8-36-22)31-19-9-14(21(32)29-24(2)11-37(33,34)12-24)3-5-16(19)20(30-31)17-10-15(35-23(26)27)4-6-18(17)25/h4,6-8,10,13-14,23H,3,5,9,11-12H2,1-2H3,(H,29,32)/t13?,14-/m1/s1
InChIKeyWPUUGRPOOPFEMZ-ARLHGKGLSA-N
XLogP3.76
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 169222636) is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is CC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CS(=O)(=O)C1)CC2.
What is the InChIKey of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is WPUUGRPOOPFEMZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C24H25F3N4O4S2/c1-13(22-28-7-8-36-22)31-19-9-14(21(32)29-24(2)11-37(33,34)12-24)3-5-16(19)20(30-31)17-10-15(35-23(26)27)4-6-18(17)25/h4,6-8,10,13-14,23H,3,5,9,11-12H2,1-2H3,(H,29,32)/t13?,14-/m1/s1.
What are the key properties of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 554.62 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 169222636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).