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

C25H23FN4O4S — CID 162678372

IUPAC1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)cn1
InChIInChI=1S/C25H23FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyBGUIVTRNEOHRKZ-RUZDIDTESA-N
MW494.55 g/mol
LogP3.54
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (PubChem CID 162678372) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
PubChem CID162678372
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC Name1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)cn1
InChIInChI=1S/C25H23FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyBGUIVTRNEOHRKZ-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

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

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Related Compounds

US10947222, Example 25
CID 139465051
US10947222, Example 10-A
CID 156600947
US10947222, Example 10-B
CID 156600948
US10947222, Example 18-B
CID 156600960
US10947222, Example 27-A
CID 156600963
US11787810, Example 113
CID 162358878
US11787810, Example 33
CID 162359246
1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
CID 155511848
5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
CID 155524061
N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide
CID 155527767
2-[(1,1-dioxothietan-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 71247690
US10947222, Example 42
CID 134522011

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (CID 162678372) is 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is COc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The InChIKey is BGUIVTRNEOHRKZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
1-(4-fluorophenyl)-3-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is sourced from PubChem (CID 162678372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).