3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

C24H20ClFN4O4S — CID 134522903

IUPAC3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCOc1ncc(Cl)cc1-c1nn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12
InChIInChI=1S/C24H20ClFN4O4S/c1-34-24-20(11-15(25)12-27-24)22-19-7-2-14(23(31)28-17-8-9-35(32,33)13-17)10-21(19)30(29-22)18-5-3-16(26)4-6-18/h2-7,10-12,17H,8-9,13H2,1H3,(H,28,31)
InChIKeyOLDUZSJHACYVQC-UHFFFAOYSA-N
MW514.97 g/mol
LogP3.81
Rot. Bonds5

About 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522903) has the molecular formula C24H20ClFN4O4S and a molecular weight of 514.97 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522903
Molecular FormulaC24H20ClFN4O4S
Molecular Weight514.97 g/mol
Exact Mass514.09
IUPAC Name3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCOc1ncc(Cl)cc1-c1nn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12
InChIInChI=1S/C24H20ClFN4O4S/c1-34-24-20(11-15(25)12-27-24)22-19-7-2-14(23(31)28-17-8-9-35(32,33)13-17)10-21(19)30(29-22)18-5-3-16(26)4-6-18/h2-7,10-12,17H,8-9,13H2,1H3,(H,28,31)
InChIKeyOLDUZSJHACYVQC-UHFFFAOYSA-N
XLogP3.81
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.97
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-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 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522903) is 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is COc1ncc(Cl)cc1-c1nn(-c2ccc(F)cc2)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccc12.
What is the InChIKey of 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is OLDUZSJHACYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O4S/c1-34-24-20(11-15(25)12-27-24)22-19-7-2-14(23(31)28-17-8-9-35(32,33)13-17)10-21(19)30(29-22)18-5-3-16(26)4-6-18/h2-7,10-12,17H,8-9,13H2,1H3,(H,28,31).
What are the key properties of 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 514.97 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-3-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).