1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide

C25H23FN4O4S — CID 162678359

IUPAC1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1cc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)ccn1
InChIInChI=1S/C25H23FN4O4S/c1-25(10-12-35(32,33)15-25)28-24(31)17-3-8-20-21(13-17)30(19-6-4-18(26)5-7-19)29-23(20)16-9-11-27-22(14-16)34-2/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyJOTKOPODZHXULC-RUZDIDTESA-N
MW494.55 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide

1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (PubChem CID 162678359) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
PubChem CID162678359
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1cc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)ccn1
InChIInChI=1S/C25H23FN4O4S/c1-25(10-12-35(32,33)15-25)28-24(31)17-3-8-20-21(13-17)30(19-6-4-18(26)5-7-19)29-23(20)16-9-11-27-22(14-16)34-2/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyJOTKOPODZHXULC-RUZDIDTESA-N
XLogP3.54
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (CID 162678359) is 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is COc1cc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The InChIKey is JOTKOPODZHXULC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-25(10-12-35(32,33)15-25)28-24(31)17-3-8-20-21(13-17)30(19-6-4-18(26)5-7-19)29-23(20)16-9-11-27-22(14-16)34-2/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is sourced from PubChem (CID 162678359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).